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17891-10-0 | 3-Butenoic acid, 2-hydroxy-2,3-dimethyl-
CAS No: 17891-10-0 Catalog No: AG0026GO MDL No:
Product Description
Catalog Number:
AG0026GO
Chemical Name:
3-Butenoic acid, 2-hydroxy-2,3-dimethyl-
CAS Number:
17891-10-0
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
IUPAC Name:
2-hydroxy-2,3-dimethylbut-3-enoic acid
InChI:
InChI=1S/C6H10O3/c1-4(2)6(3,9)5(7)8/h9H,1H2,2-3H3,(H,7,8)
InChI Key:
KXXIUSPPIOSKAZ-UHFFFAOYSA-N
SMILES:
CC(=C)C(C(=O)O)(O)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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