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138191-42-1 | Hexanoic acid, 4-amino-6-oxo-
CAS No: 138191-42-1 Catalog No: AG00185I MDL No:
Product Description
Catalog Number:
AG00185I
Chemical Name:
Hexanoic acid, 4-amino-6-oxo-
CAS Number:
138191-42-1
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
IUPAC Name:
4-amino-6-oxohexanoic acid
InChI:
InChI=1S/C6H11NO3/c7-5(3-4-8)1-2-6(9)10/h4-5H,1-3,7H2,(H,9,10)
InChI Key:
RZSYSQBZTMRDHO-UHFFFAOYSA-N
SMILES:
O=CCC(CCC(=O)O)N
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.158g/mol
Monoisotopic Mass:
145.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
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