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150994-59-5 | 2,4-Hexadienoic acid, 2-amino-6-oxo-
CAS No: 150994-59-5 Catalog No: AG001MZO MDL No:
Product Description
Catalog Number:
AG001MZO
Chemical Name:
2,4-Hexadienoic acid, 2-amino-6-oxo-
CAS Number:
150994-59-5
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
IUPAC Name:
2-amino-6-oxohexa-2,4-dienoic acid
InChI:
InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)
InChI Key:
QCGTZPZKJPTAEP-UHFFFAOYSA-N
SMILES:
O=CC=CC=C(C(=O)O)N
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
-0.3
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