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1740-56-3 | Pentamethylene dicarboxylic acid diamide
CAS No: 1740-56-3 Catalog No: AG001ZE7 MDL No:
Product Description
Catalog Number:
AG001ZE7
Chemical Name:
Pentamethylene dicarboxylic acid diamide
CAS Number:
1740-56-3
Molecular Formula:
C7H14N2O2
Molecular Weight:
158.1983
IUPAC Name:
heptanediamide
InChI:
InChI=1S/C7H14N2O2/c8-6(10)4-2-1-3-5-7(9)11/h1-5H2,(H2,8,10)(H2,9,11)
InChI Key:
QMYWABFEOZMOIL-UHFFFAOYSA-N
SMILES:
NC(=O)CCCCCC(=O)N
NSC Number:
99810
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.106g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.201g/mol
Monoisotopic Mass:
158.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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