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2351-89-5 | 2-Hexenoic acid, 5-methyl-, ethyl ester
CAS No: 2351-89-5 Catalog No: AG002NHM MDL No:
Product Description
Catalog Number:
AG002NHM
Chemical Name:
2-Hexenoic acid, 5-methyl-, ethyl ester
CAS Number:
2351-89-5
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
ethyl (E)-5-methylhex-2-enoate
InChI:
InChI=1S/C9H16O2/c1-4-11-9(10)7-5-6-8(2)3/h5,7-8H,4,6H2,1-3H3/b7-5+
InChI Key:
XBRGZVMBYLXWTE-FNORWQNLSA-N
SMILES:
CCOC(=O)C=CCC(C)C
EC Number:
219-086-8
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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