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101395-62-4 | Pentanoic acid, 4,4'-(1,2-diazenediyl)bis[4-cyano-2-methyl-
CAS No: 101395-62-4 Catalog No: AG0004EC MDL No:
Product Description
Catalog Number:
AG0004EC
Chemical Name:
Pentanoic acid, 4,4'-(1,2-diazenediyl)bis[4-cyano-2-methyl-
CAS Number:
101395-62-4
Molecular Formula:
C14H20N4O4
Molecular Weight:
308.3330
IUPAC Name:
4-[(4-carboxy-2-cyanopentan-2-yl)diazenyl]-4-cyano-2-methylpentanoic acid
InChI:
InChI=1S/C14H20N4O4/c1-9(11(19)20)5-13(3,7-15)17-18-14(4,8-16)6-10(2)12(21)22/h9-10H,5-6H2,1-4H3,(H,19,20)(H,21,22)
InChI Key:
NLCNXVQDGTZBKC-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CC(N=NC(C#N)(CC(C(=O)O)C)C)(C#N)C
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.338g/mol
Monoisotopic Mass:
308.148g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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