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139232-38-5 | 3-Butenoic acid, 4-(3-hydroxy-2-benzofuranyl)-2-oxo-
CAS No: 139232-38-5 Catalog No: AG001AJI MDL No:
Product Description
Catalog Number:
AG001AJI
Chemical Name:
3-Butenoic acid, 4-(3-hydroxy-2-benzofuranyl)-2-oxo-
CAS Number:
139232-38-5
Molecular Formula:
C12H8O5
Molecular Weight:
232.1889
IUPAC Name:
4-(3-hydroxy-1-benzofuran-2-yl)-2-oxobut-3-enoic acid
InChI:
InChI=1S/C12H8O5/c13-8(12(15)16)5-6-10-11(14)7-3-1-2-4-9(7)17-10/h1-6,14H,(H,15,16)
InChI Key:
XSZLPSAFCUMKIC-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)C=Cc1oc2c(c1O)cccc2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.191g/mol
Monoisotopic Mass:
232.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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