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7244-95-3 | 2-hydroxy-6-oxo-hepta-2,4-dienoic acid
CAS No: 7244-95-3 Catalog No: AG005HFP MDL No:
Product Description
Catalog Number:
AG005HFP
Chemical Name:
2-hydroxy-6-oxo-hepta-2,4-dienoic acid
CAS Number:
7244-95-3
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
IUPAC Name:
2-hydroxy-6-oxohepta-2,4-dienoic acid
InChI:
InChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)
InChI Key:
HVZGWILTESYJSP-UHFFFAOYSA-N
SMILES:
CC(=O)C=CC=C(C(=O)O)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.2
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