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1617-19-2 | 3-Butenoic acid, 3-methyl-, ethyl ester
CAS No: 1617-19-2 Catalog No: AG001VTL MDL No:
Product Description
Catalog Number:
AG001VTL
Chemical Name:
3-Butenoic acid, 3-methyl-, ethyl ester
CAS Number:
1617-19-2
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
ethyl 3-methylbut-3-enoate
InChI:
InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h2,4-5H2,1,3H3
InChI Key:
SQKVCLUVKIDLNQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=C)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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