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137816-75-2 | Hexanediamide, N1-formyl-
CAS No: 137816-75-2 Catalog No: AG0013W2 MDL No:
Product Description
Catalog Number:
AG0013W2
Chemical Name:
Hexanediamide, N1-formyl-
CAS Number:
137816-75-2
Molecular Formula:
C7H12N2O3
Molecular Weight:
172.1818
IUPAC Name:
N'-formylhexanediamide
InChI:
InChI=1S/C7H12N2O3/c8-6(11)3-1-2-4-7(12)9-5-10/h5H,1-4H2,(H2,8,11)(H,9,10,12)
InChI Key:
ITOULTDETPQAHB-UHFFFAOYSA-N
SMILES:
O=CNC(=O)CCCCC(=O)N
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.184g/mol
Monoisotopic Mass:
172.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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