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88941-73-5 | Benzoic acid, 3-[hydroxy[3-(1H-imidazol-1-yl)phenyl]methyl]-
CAS No: 88941-73-5 Catalog No: AG0089VT MDL No:
Product Description
Catalog Number:
AG0089VT
Chemical Name:
Benzoic acid, 3-[hydroxy[3-(1H-imidazol-1-yl)phenyl]methyl]-
CAS Number:
88941-73-5
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
IUPAC Name:
3-[hydroxy-(3-imidazol-1-ylphenyl)methyl]benzoic acid
InChI:
InChI=1S/C17H14N2O3/c20-16(12-3-1-5-14(9-12)17(21)22)13-4-2-6-15(10-13)19-8-7-18-11-19/h1-11,16,20H,(H,21,22)
InChI Key:
NCIVFSRTQFXADD-UHFFFAOYSA-N
SMILES:
OC(c1cccc(c1)C(=O)O)c1cccc(c1)n1cncc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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