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| CAS Number | 288-14-2 |
| Catalog Number | AG002WJG(AGN-PC-040L7F) |
| Chemical Name | Isoxazole |
| EC Number | 206-018-7 |
| IUPAC Name | 1,2-oxazole |
| InChI | InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H |
| InChI Key | CTAPFRYPJLPFDF-UHFFFAOYSA-N |
| MDL Number | MFCD00003149 |
| Molecular Formula | C3H3NO |
| Molecular Weight | 69.0620 |
| NSC Number | 137774 |
| SMILES | n1occc1 |
| UNII | 00SRW0M6PW |
| Synonyms | Isoxazoles,
ISOXAZOLE,
288-14-2,
1,2-oxazole,
1-Oxa-2-azacyclopentadiene,
Isooxazole,
UNII-00SRW0M6PW,
Isoxazole, 99%,
MFCD00003149,
00SRW0M6PW,
CHEBI:35595,
CTAPFRYPJLPFDF-UHFFFAOYSA-N,
Isoxazoles,
EINECS 206-018-7,
NSC 137774,
PubChem8623,
AC1L1SNY,
ACMC-209h4x,
KSC204O6N,
CHEMBL13257,
Jsp005495,
DTXSID7059775,
CTK1A4766,
KS-000001XU,
STR08895,
ZINC1420779,
ANW-26479,
BBL013881,
NSC137774,
RW3891,
SBB071031,
STL168868,
AKOS005254996,
AM81392,
LS21145,
MCULE-4177650025,
NSC-137774,
RTR-012648,
TRA-0205399,
AC-16452,
AJ-25800,
AK-25710,
AN-23346,
BP-21289,
BR-25710,
CJ-04936,
CJ-23324,
SC-03143,
AB1008086,
DB-016151,
ST2413182,
TR-012648,
FT-0085082,
FT-0627539,
I0372,
6019-EP0930075A1,
6019-EP2269990A1,
6019-EP2270006A1,
6019-EP2270010A1,
6019-EP2270113A1,
6019-EP2270505A1,
6019-EP2272509A1,
6019-EP2272517A1,
6019-EP2272813A2,
6019-EP2272827A1,
6019-EP2272828A1,
6019-EP2272832A1,
6019-EP2272935A1,
6019-EP2272972A1,
6019-EP2272973A1,
6019-EP2275395A2,
6019-EP2275401A1,
6019-EP2275411A2,
6019-EP2275412A1,
6019-EP2277872A1,
6019-EP2280000A1,
6019-EP2281563A1,
6019-EP2281815A1,
6019-EP2281818A1,
6019-EP2281819A1,
6019-EP2284149A1,
6019-EP2284157A1,
6019-EP2284920A1,
6019-EP2287165A2,
6019-EP2287166A2,
6019-EP2287167A1,
6019-EP2289883A1,
6019-EP2292592A1,
6019-EP2292593A2,
6019-EP2292604A2,
6019-EP2292611A1,
6019-EP2292619A1,
6019-EP2292620A2,
6019-EP2292630A1,
6019-EP2295402A2,
6019-EP2295406A1,
6019-EP2295411A1,
6019-EP2295426A1,
6019-EP2295427A1,
6019-EP2295429A1,
6019-EP2295432A1,
6019-EP2295433A2,
6019-EP2295439A1,
6019-EP2298731A1,
6019-EP2298743A1,
6019-EP2298749A1,
6019-EP2298750A1,
6019-EP2298767A1,
6019-EP2298770A1,
6019-EP2298772A1,
6019-EP2301536A1,
6019-EP2301538A1,
6019-EP2301923A1,
6019-EP2301937A1,
6019-EP2303872A1,
6019-EP2305219A1,
6019-EP2305250A1,
6019-EP2305640A2,
6019-EP2305648A1,
6019-EP2305652A2,
6019-EP2305657A2,
6019-EP2305659A1,
6019-EP2305688A1,
6019-EP2305695A2,
6019-EP2305696A2,
6019-EP2305697A2,
6019-EP2305698A2,
6019-EP2305808A1,
6019-EP2308510A1,
6019-EP2308562A2,
6019-EP2308812A2,
6019-EP2308838A1,
6019-EP2308848A1,
6019-EP2308869A1,
6019-EP2308874A1,
6019-EP2308880A1,
6019-EP2311455A1,
6019-EP2311811A1,
6019-EP2311818A1,
6019-EP2311825A1,
6019-EP2311830A1,
6019-EP2311842A2,
6019-EP2314582A1,
6019-EP2314587A1,
6019-EP2314588A1,
6019-EP2316452A1,
6019-EP2316459A1,
6019-EP2316470A2,
6019-EP2316831A1,
6019-EP2316832A1,
6019-EP2316833A1,
6019-EP2316974A1,
6019-EP2371811A2,
I13100,
K-7100,
27195-EP2269978A2,
27195-EP2269985A2,
27195-EP2269991A2,
27195-EP2284150A2,
27195-EP2284151A2,
27195-EP2284152A2,
27195-EP2284153A2,
27195-EP2284155A2,
27195-EP2284156A2,
27195-EP2284164A2,
27195-EP2287140A2,
27195-EP2287148A2,
27195-EP2287150A2,
27195-EP2289871A1,
27195-EP2292590A2,
27195-EP2295419A2,
27195-EP2298732A1,
27195-EP2298755A1,
27195-EP2301912A2,
27195-EP2301913A1,
27195-EP2301914A1,
27195-EP2301916A2,
27195-EP2305637A2,
27195-EP2308832A1,
27195-EP2308863A1,
27195-EP2311796A1,
27195-EP2311797A1,
27195-EP2311798A1,
27195-EP2311799A1,
27195-EP2314575A1,
99929-EP2272846A1,
99929-EP2281824A1,
99929-EP2295439A1,
99929-EP2298749A1,
99929-EP2301923A1,
A819607,
InChI=1/C3H3NO/c1-2-4-5-3-1/h1-3,
Q-201258,
F0001-0901,
null,
Isoxazol,
C3H3NO,
C3-H3-N-O,
CID9254,
Isoxazole, 98.5% - 1G 1g,
ACN-048703,
D007555,
|
| Complexity | 30.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 69.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 69.063g/mol |
| Monoisotopic Mass | 69.021g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
| Symbol: | |
| Hazard Class | 3 |
| Hazard statements | H225 |
| Packing Group | Ⅱ |
| Precautionary statements | P210 |
| UN Code | UN 1993 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

