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113428-99-2 | Benzoic acid, 2-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-
CAS No: 113428-99-2 Catalog No: AG0008JY MDL No:
Product Description
Catalog Number:
AG0008JY
Chemical Name:
Benzoic acid, 2-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-
CAS Number:
113428-99-2
Molecular Formula:
C15H12O4
Molecular Weight:
256.2534
IUPAC Name:
2-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]benzoic acid
InChI:
InChI=1S/C15H12O4/c16-12-8-5-10(6-9-12)4-7-11-2-1-3-13(17)14(11)15(18)19/h1-9,16-17H,(H,18,19)
InChI Key:
UWXXIBUTKVUHTR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C=Cc1cccc(c1C(=O)O)O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.257g/mol
Monoisotopic Mass:
256.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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