Home Other Building Blocks 4-Hexenoic acid, 2-methyl-, ethyl ester, (E)-(±)-

4-Hexenoic acid, 2-methyl-, ethyl ester, (E)-(±)-

CAS No.:
118942-48-6
Catalog Number:
AG01DUMM
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
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Product Description
Catalog Number:
AG01DUMM
Chemical Name:
4-Hexenoic acid, 2-methyl-, ethyl ester, (E)-(±)-
CAS Number:
118942-48-6
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
ethyl (E)-2-methylhex-4-enoate
InChI:
InChI=1S/C9H16O2/c1-4-6-7-8(3)9(10)11-5-2/h4,6,8H,5,7H2,1-3H3/b6-4+
InChI Key:
JQFWSELAMIOZPM-GQCTYLIASA-N
SMILES:
CCOC(=O)C(C/C=C/C)C
Properties
Complexity:
139  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties