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10268-66-3 | Benzoic acid, 2-hydroxy-5-methoxy-, phenyl ester
CAS No: 10268-66-3 Catalog No: AG00084F MDL No:
Product Description
Catalog Number:
AG00084F
Chemical Name:
Benzoic acid, 2-hydroxy-5-methoxy-, phenyl ester
CAS Number:
10268-66-3
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
IUPAC Name:
phenyl 2-hydroxy-5-methoxybenzoate
InChI:
InChI=1S/C14H12O4/c1-17-11-7-8-13(15)12(9-11)14(16)18-10-5-3-2-4-6-10/h2-9,15H,1H3
InChI Key:
GSKOHURUSAKKMP-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)Oc1ccccc1)O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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