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114828-86-3 | 2-Butenoic acid, 3-hydroxy-4-oxo-, (Z)- (9CI)
CAS No: 114828-86-3 Catalog No: AG000FAT MDL No:
Product Description
Catalog Number:
AG000FAT
Chemical Name:
2-Butenoic acid, 3-hydroxy-4-oxo-, (Z)- (9CI)
CAS Number:
114828-86-3
Molecular Formula:
C4H4O4
Molecular Weight:
116.0722
IUPAC Name:
3-hydroxy-4-oxobut-2-enoic acid
InChI:
InChI=1S/C4H4O4/c5-2-3(6)1-4(7)8/h1-2,6H,(H,7,8)
InChI Key:
XAFRURAEAVDJRU-UHFFFAOYSA-N
SMILES:
O=C/C(=C/C(=O)O)/O
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.011g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
116.072g/mol
Monoisotopic Mass:
116.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.1
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