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115973-52-9 | Benzenepropanoic acid, α-[2-hydroxy-5-(2-phenyldiazenyl)phenyl]-
CAS No: 115973-52-9 Catalog No: AG000H8F MDL No:
Product Description
Catalog Number:
AG000H8F
Chemical Name:
Benzenepropanoic acid, α-[2-hydroxy-5-(2-phenyldiazenyl)phenyl]-
CAS Number:
115973-52-9
Molecular Formula:
C21H18N2O3
Molecular Weight:
346.3792
IUPAC Name:
2-[6-hydroxy-1-[(2-hydroxyphenyl)diazenyl]-3-phenylcyclohexa-2,4-dien-1-yl]-3-phenylpropanoic acid
InChI:
InChI=1S/C27H24N2O4/c30-24-14-8-7-13-23(24)28-29-27(22(26(32)33)17-19-9-3-1-4-10-19)18-21(15-16-25(27)31)20-11-5-2-6-12-20/h1-16,18,22,25,30-31H,17H2,(H,32,33)
InChI Key:
ZNTLSWDDPPNEQH-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cc(N=Nc2ccccc2)ccc1O)Cc1ccccc1
Properties
Complexity:
751
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.174g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
440.499g/mol
Monoisotopic Mass:
440.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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