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123692-96-6 | Benzoic acid, 4-[2-(3-formyl-4-hydroxyphenyl)diazenyl]-
CAS No: 123692-96-6 Catalog No: AG000KY8 MDL No:MFCD02570852
Product Description
Catalog Number:
AG000KY8
Chemical Name:
Benzoic acid, 4-[2-(3-formyl-4-hydroxyphenyl)diazenyl]-
CAS Number:
123692-96-6
Molecular Formula:
C14H10N2O4
Molecular Weight:
270.2402
MDL Number:
MFCD02570852
IUPAC Name:
4-[(3-formyl-4-hydroxyphenyl)diazenyl]benzoic acid
InChI:
InChI=1S/C14H10N2O4/c17-8-10-7-12(5-6-13(10)18)16-15-11-3-1-9(2-4-11)14(19)20/h1-8,18H,(H,19,20)
InChI Key:
GGNYTUKTKFDKNE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(N=Nc2ccc(cc2)C(=O)O)ccc1O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.244g/mol
Monoisotopic Mass:
270.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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