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13979-28-7 | 2-Butenoic acid, 2,3-dimethyl-, ethyl ester
CAS No: 13979-28-7 Catalog No: AG001BQ8 MDL No:MFCD26798950
Product Description
Catalog Number:
AG001BQ8
Chemical Name:
2-Butenoic acid, 2,3-dimethyl-, ethyl ester
CAS Number:
13979-28-7
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
MDL Number:
MFCD26798950
IUPAC Name:
ethyl 2,3-dimethylbut-2-enoate
InChI:
InChI=1S/C8H14O2/c1-5-10-8(9)7(4)6(2)3/h5H2,1-4H3
InChI Key:
XQLHWKOJIVYSGS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(C)C)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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