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878556-11-7 | Pentanoic acid, 5-(formylamino)-4-oxo-
CAS No: 878556-11-7 Catalog No: AG004JF8 MDL No:
Product Description
Catalog Number:
AG004JF8
Chemical Name:
Pentanoic acid, 5-(formylamino)-4-oxo-
CAS Number:
878556-11-7
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
IUPAC Name:
5-formamido-4-oxopentanoic acid
InChI:
InChI=1S/C6H9NO4/c8-4-7-3-5(9)1-2-6(10)11/h4H,1-3H2,(H,7,8)(H,10,11)
InChI Key:
FWYAISRCTGPVLZ-UHFFFAOYSA-N
SMILES:
O=CNCC(=O)CCC(=O)O
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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