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10276-09-2 | 3-Butenoic acid, 2,2-dimethyl-
CAS No: 10276-09-2 Catalog No: AG0008BA MDL No:MFCD00196967
Product Description
Catalog Number:
AG0008BA
Chemical Name:
3-Butenoic acid, 2,2-dimethyl-
CAS Number:
10276-09-2
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD00196967
IUPAC Name:
2,2-dimethylbut-3-enoic acid
InChI:
InChI=1S/C6H10O2/c1-4-6(2,3)5(7)8/h4H,1H2,2-3H3,(H,7,8)
InChI Key:
SCFWAOWWAANBPY-UHFFFAOYSA-N
SMILES:
C=CC(C(=O)O)(C)C
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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