| CAS Number | 28129-15-9 |
| Catalog Number | AG00398W(AGN-PC-0JT6DB) |
| Chemical Name | 2-Hydroxyethyl 4-methylbenzoate |
| IUPAC Name | 2-hydroxyethyl 4-methylbenzoate |
| InChI | InChI=1S/C10H12O3/c1-8-2-4-9(5-3-8)10(12)13-7-6-11/h2-5,11H,6-7H2,1H3 |
| InChI Key | BOMBRBNKVUKCJW-UHFFFAOYSA-N |
| MDL Number | MFCD02584971 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | CC1=CC=C(C(=O)OCCO)C=C1 |
| Synonyms | 2-Hydroxyethyl 4-methylbenzoate,
28129-15-9,
p-Toluic acid, 2-hydroxyethyl ester,
Benzoic acid, 4-methyl-, 2-hydroxyethyl ester,
AC1LB5VV,
SCHEMBL1614890,
CTK8A5447,
BOMBRBNKVUKCJW-UHFFFAOYSA-N,
2-Hydroxyethyl 4-methylbenzoate #,
KS-000000EA,
MFCD02584971,
AKOS028111584,
4-Methylbenzoic acid 2-hydroxyethyl ester,
CID576920,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.203g/mol |
| Monoisotopic Mass | 180.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number