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151028-44-3 | 2,4-Heptadienedioic acid, 4-amino-6-oxo-, (E,E)- (9CI)
CAS No: 151028-44-3 Catalog No: AG001N10 MDL No:
Product Description
Catalog Number:
AG001N10
Chemical Name:
2,4-Heptadienedioic acid, 4-amino-6-oxo-, (E,E)- (9CI)
CAS Number:
151028-44-3
Molecular Formula:
C7H7NO5
Molecular Weight:
185.1342
IUPAC Name:
4-amino-6-oxohepta-2,4-dienedioic acid
InChI:
InChI=1S/C7H7NO5/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-3H,8H2,(H,10,11)(H,12,13)
InChI Key:
SGUXCHHLXDUUHD-UHFFFAOYSA-N
SMILES:
N/C(=C/C(=O)C(=O)O)/C=C/C(=O)O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.032g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
185.135g/mol
Monoisotopic Mass:
185.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Bacterial metabolism of 5-aminosalicylic acid: enzymic conversion to L-malate, pyruvate and ammonia. | Journal of general microbiology 19930501 |
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