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| CAS Number | 700-06-1 |
| Catalog Number | AG003R07(AGN-PC-0HX726) |
| Chemical Name | Indole-3-methanol |
| EC Number | 211-836-2 |
| IUPAC Name | 1H-indol-3-ylmethanol |
| InChI | InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2 |
| InChI Key | IVYPNXXAYMYVSP-UHFFFAOYSA-N |
| MDL Number | MFCD00149341 |
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.1739 |
| NSC Number | 525801 |
| SMILES | OCC1=CNC2=C1C=CC=C2 |
| UNII | C11E72455F |
| Synonyms | 1H-indole-3-methanol,
3-hydroxymethylindole,
I3C cpd,
indole-3-carbinol,
indole-3-methanol,
Indole-3-carbinol,
700-06-1,
3-Indolemethanol,
INDOLE-3-METHANOL,
(1H-Indol-3-yl)methanol,
1H-indol-3-ylmethanol,
1H-Indole-3-methanol,
3-Hydroxymethylindole,
3-Indolylcarbinol,
Indinol,
3-(Hydroxymethyl)indole,
3-Indole methanol,
Indole 3 carbinol,
(1H-Indol-3-yl)-methanol,
CCRIS 3261,
UNII-C11E72455F,
EINECS 211-836-2,
MFCD00005632,
1H-Indol-3-Yl-Methanol,
I3C,
C9H9NO,
NSC 525801,
BRN 0121323,
AI3-60090,
CHEBI:24814,
IVYPNXXAYMYVSP-UHFFFAOYSA-N,
Prevention 4 (indole-3-carbinol),
C11E72455F,
NCGC00090701-06,
indol-3-ylmethan-1-ol,
I0496,
Indole-3-carbinol, 97%,
SMR000385784,
I3C cpd,
3-Indolecarbinol,
3-Indolylmethanol,
indole-3-carbinole,
Indole-3-carbinol;3-Indole methanol,
zlchem 356,
3-Hydroxymethylindoll,
PubChem7265,
3-hydroxymethyl indole,
AC1L1GJH,
Spectrum2_001710,
Spectrum3_001973,
ACMC-209oc7,
AC1Q7C3V,
DSSTox_CID_11458,
DSSTox_RID_78876,
DSSTox_GSID_31458,
BSPBio_003573,
MLS001333161,
MLS001333162,
SCHEMBL195520,
SPECTRUM1505320,
SPBio_001700,
CHEMBL155625,
1H-Indole-3-methanol (9CI),
DTXSID7031458,
CTK5D1676,
GTPL10047,
KBio3_002949,
ZLC0198,
HMS1789O22,
HMS2235E10,
HMS3369B02,
HMS3651I18,
ZINC158743,
ACN-S002804,
ACT03591,
BCP00087,
HY-N0170,
INDOLE-3-CARBINOL (I3C),
KS-000008ZG,
Tox21_400055,
9344AF,
AM1155,
ANW-35813,
CCG-38786,
HSCI1_000097,
IN1455,
NSC525801,
s2313,
SBB004095,
AKOS001075120,
AC-7583,
AN-8864,
CS-7780,
DB12881,
GS-0916,
LS-2173,
LS20980,
MCULE-6344603304,
NSC-525801,
RP01522,
RTC-020178,
SB14958,
SDCCGMLS-0065970.P001,
SDCCGMLS-0065970.P002,
VI30396,
Indole-3-methanol (Indole-3-carbinol),
SMP2_000172,
TRA-0190502,
NCGC00090701-01,
NCGC00090701-02,
NCGC00090701-03,
NCGC00090701-04,
NCGC00090701-05,
NCGC00090701-07,
AJ-15333,
AK-53373,
BC226969,
BR-53373,
CAS-700-06-1,
CJ-01822,
SC-06380,
SY015976,
ZB007051,
AB0008317,
AB1009801,
ST2402099,
TL8004925,
4CH-018038,
A9256,
FT-0615875,
ST50308202,
SW219849-1,
00I061,
I-2100,
M-3233,
MFCD00005632 (95+%),
A836732,
SR-01000838318,
I10-0077,
SR-01000838318-3,
BRD-K01815685-001-02-3,
BRD-K01815685-001-07-2,
Z85923165,
null,
Indole-3-carbinol hydrate,
3-Indolemethanol, 97% 1g,
C9-H9-N-O,
CID3712,
ZINC00158743,
Indole-3-carbinol, 98% - 1G 1g,
ACN-031680,
B3667,
5-21-03-00045 (Beilstein Handbook Reference),
A10473,
C016517,
10233-13-3,
2051-28-7,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.177g/mol |
| Monoisotopic Mass | 147.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H315-H319 |
| Packing Group | |
| Precautionary statements | P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

