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100493-13-8 | 2-Oxiranecarboxylic acid, 3-(4-methylphenyl)-, methyl ester, (2R,3S)-rel-
CAS No: 100493-13-8 Catalog No: AG000255 MDL No:
Product Description
Catalog Number:
AG000255
Chemical Name:
2-Oxiranecarboxylic acid, 3-(4-methylphenyl)-, methyl ester, (2R,3S)-rel-
CAS Number:
100493-13-8
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
methyl 3-(4-methylphenyl)oxirane-2-carboxylate
InChI:
InChI=1S/C11H12O3/c1-7-3-5-8(6-4-7)9-10(14-9)11(12)13-2/h3-6,9-10H,1-2H3
InChI Key:
NRVPICMUQWVTEE-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]1O[C@H]1c1ccc(cc1)C
EC Number:
924-646-6
Properties
Complexity:
219
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:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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