| CAS Number | 42865-03-2 |
| Catalog Number | AG00D7DX(AGN-PC-0KZ4NY) |
| Chemical Name | 1-[3-(Oxiran-2-ylmethoxy)phenyl]ethanone |
| IUPAC Name | 1-[3-(oxiran-2-ylmethoxy)phenyl]ethanone |
| InChI | InChI=1S/C11H12O3/c1-8(12)9-3-2-4-10(5-9)13-6-11-7-14-11/h2-5,11H,6-7H2,1H3 |
| InChI Key | KGRFDQPMJNJEQB-UHFFFAOYSA-N |
| MDL Number | MFCD06655047 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | CC(C1=CC(OCC2OC2)=CC=C1)=O |
| Synonyms | 42865-03-2,
1-[3-(oxiran-2-ylmethoxy)phenyl]ethanone,
1-[3-(oxiran-2-ylmethoxy)phenyl]ethan-1-one,
1-(3-(Oxiran-2-ylmethoxy)phenyl)ethanone,
1-[3-(2,3-epoxy-propoxy)-phenyl]-ethanone,
AC1MW9PU,
AC1Q1JNE,
SCHEMBL6915703,
CTK4I6716,
DTXSID60395500,
NE18689,
Ethanone,1-[3-(2-oxiranylmethoxy)phenyl]-,
EN300-09947,
1-{3-[(Oxiran-2-yl)methoxy]phenyl}ethan-1-one,
1-[3- PHENYL]ETHANONE,
ZINC04200180,
CID3720668,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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