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10268-64-1 | Benzoic acid, 2-hydroxy-5-methyl-, phenyl ester
CAS No: 10268-64-1 Catalog No: AG00083I MDL No:
Product Description
Catalog Number:
AG00083I
Chemical Name:
Benzoic acid, 2-hydroxy-5-methyl-, phenyl ester
CAS Number:
10268-64-1
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
IUPAC Name:
phenyl 2-hydroxy-5-methylbenzoate
InChI:
InChI=1S/C14H12O3/c1-10-7-8-13(15)12(9-10)14(16)17-11-5-3-2-4-6-11/h2-9,15H,1H3
InChI Key:
AMLDDICCKSCSQI-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)Oc1ccccc1)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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