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1617-23-8 | 3-Pentenoic acid, 2-methyl-, ethyl ester
CAS No: 1617-23-8 Catalog No: AG001VTJ MDL No:
Product Description
Catalog Number:
AG001VTJ
Chemical Name:
3-Pentenoic acid, 2-methyl-, ethyl ester
CAS Number:
1617-23-8
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
ethyl (E)-2-methylpent-3-enoate
InChI:
InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,6-7H,5H2,1-3H3/b6-4+
InChI Key:
HOWBPXBYCPKWBL-GQCTYLIASA-N
SMILES:
CCOC(=O)C(C=CC)C
EC Number:
216-572-1
FEMA Number:
3456
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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