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24724-87-6 | Benzoic acid, 3-(4-carboxyphenoxy)-4-methoxy-
CAS No: 24724-87-6 Catalog No: AG002P8Y MDL No:
Product Description
Catalog Number:
AG002P8Y
Chemical Name:
Benzoic acid, 3-(4-carboxyphenoxy)-4-methoxy-
CAS Number:
24724-87-6
Molecular Formula:
C15H12O6
Molecular Weight:
288.2522
IUPAC Name:
3-(4-carboxyphenoxy)-4-methoxybenzoic acid
InChI:
InChI=1S/C15H12O6/c1-20-12-7-4-10(15(18)19)8-13(12)21-11-5-2-9(3-6-11)14(16)17/h2-8H,1H3,(H,16,17)(H,18,19)
InChI Key:
COFOCGVAKIWASJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Oc1ccc(cc1)C(=O)O)C(=O)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.255g/mol
Monoisotopic Mass:
288.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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