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87941-69-3 | Benzoic acid, 2,4-dihydroxy-3-(phenylmethyl)-
CAS No: 87941-69-3 Catalog No: AG004D7B MDL No:
Product Description
Catalog Number:
AG004D7B
Chemical Name:
Benzoic acid, 2,4-dihydroxy-3-(phenylmethyl)-
CAS Number:
87941-69-3
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
IUPAC Name:
3-benzyl-2,4-dihydroxybenzoic acid
InChI:
InChI=1S/C14H12O4/c15-12-7-6-10(14(17)18)13(16)11(12)8-9-4-2-1-3-5-9/h1-7,15-16H,8H2,(H,17,18)
InChI Key:
OEUKLGGHRHDBEX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1O)Cc1ccccc1)O
Properties
Complexity:
286
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:
3
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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