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15813-38-4 | Benzoic acid, 2-methyl-, phenyl ester
CAS No: 15813-38-4 Catalog No: AG001Q0C MDL No:
Product Description
Catalog Number:
AG001Q0C
Chemical Name:
Benzoic acid, 2-methyl-, phenyl ester
CAS Number:
15813-38-4
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
IUPAC Name:
phenyl 2-methylbenzoate
InChI:
InChI=1S/C14H12O2/c1-11-7-5-6-10-13(11)14(15)16-12-8-3-2-4-9-12/h2-10H,1H3
InChI Key:
MLBAJOWFHHXRJP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C)Oc1ccccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.248g/mol
Monoisotopic Mass:
212.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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