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116274-68-1 | 2-Butenoic acid, 4-(2,4-dihydroxyphenyl)-4-oxo-
CAS No: 116274-68-1 Catalog No: AG000C37 MDL No:
Product Description
Catalog Number:
AG000C37
Chemical Name:
2-Butenoic acid, 4-(2,4-dihydroxyphenyl)-4-oxo-
CAS Number:
116274-68-1
Molecular Formula:
C10H8O5
Molecular Weight:
208.1675
IUPAC Name:
4-(2,4-dihydroxyphenyl)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C10H8O5/c11-6-1-2-7(9(13)5-6)8(12)3-4-10(14)15/h1-5,11,13H,(H,14,15)
InChI Key:
ABWYDBITNWMTMS-UHFFFAOYSA-N
SMILES:
OC(=O)C=CC(=O)c1ccc(cc1O)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
208.169g/mol
Monoisotopic Mass:
208.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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