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89296-49-1 | 5-Hexenoic acid, 6-(3,4-dihydroxyphenyl)-2,4-dioxo-
CAS No: 89296-49-1 Catalog No: AG0040D1 MDL No:
Product Description
Catalog Number:
AG0040D1
Chemical Name:
5-Hexenoic acid, 6-(3,4-dihydroxyphenyl)-2,4-dioxo-
CAS Number:
89296-49-1
Molecular Formula:
C12H10O6
Molecular Weight:
250.2042
IUPAC Name:
6-(3,4-dihydroxyphenyl)-2,4-dioxohex-5-enoic acid
InChI:
InChI=1S/C12H10O6/c13-8(6-11(16)12(17)18)3-1-7-2-4-9(14)10(15)5-7/h1-5,14-15H,6H2,(H,17,18)
InChI Key:
VDADJCUBZJQTKA-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)C(=O)O)C=Cc1ccc(c(c1)O)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.206g/mol
Monoisotopic Mass:
250.048g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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