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72614-75-6 | 4-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo]benzoic acid
CAS No: 72614-75-6 Catalog No: AG00FMDM MDL No:
Product Description
Catalog Number:
AG00FMDM
Chemical Name:
4-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo]benzoic acid
CAS Number:
72614-75-6
IUPAC Name:
4-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxopyridin-3-yl)diazenyl]benzoic acid
InChI:
InChI=1S/C15H12N4O4/c1-8-11(7-16)13(20)19(2)14(21)12(8)18-17-10-5-3-9(4-6-10)15(22)23/h3-6,20H,1-2H3,(H,22,23)
InChI Key:
IYAQJQQNWDKPCC-UHFFFAOYSA-N
EC Number:
276-731-6
Properties
Complexity:
675
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.086g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.285g/mol
Monoisotopic Mass:
312.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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