| CAS Number | 17526-74-8 |
| Catalog Number | AG00ADZI(AGN-PC-0JKK5S) |
| Chemical Name | Hexanoic acid oxiranylmethyl ester |
| IUPAC Name | oxiran-2-ylmethyl hexanoate |
| InChI | InChI=1S/C9H16O3/c1-2-3-4-5-9(10)12-7-8-6-11-8/h8H,2-7H2,1H3 |
| InChI Key | LYJNHHFSQGRJFP-UHFFFAOYSA-N |
| MDL Number | MFCD01723334 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | C(CCCCC)(=O)OCC1OC1 |
| Synonyms | Glycidyl hexanoate,
oxiran-2-ylmethyl hexanoate,
Glycidyl ester of hexanoic acid,
17526-74-8,
BRN 1365955,
HEXANOIC ACID, 2,3-EPOXYPROPYL ESTER,
Hexanoic acid, oxiranylmethyl ester,
AC1L1FMM,
caproic acid glycidyl ester,
SCHEMBL2318734,
ACM17526748,
LS-75272,
Hexanoic acid, oxiranylmethyl ester (9CI),
CID28579,
C9-H16-O3,
5-17-03-00034 (Beilstein Handbook Reference),
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number