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101968-05-2 | 2-Pentenoic acid, 2-ethyl-4-methyl-, methyl ester
CAS No: 101968-05-2 Catalog No: AG00063Y MDL No:
Product Description
Catalog Number:
AG00063Y
Chemical Name:
2-Pentenoic acid, 2-ethyl-4-methyl-, methyl ester
CAS Number:
101968-05-2
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
methyl 2-ethyl-4-methylpent-2-enoate
InChI:
InChI=1S/C9H16O2/c1-5-8(6-7(2)3)9(10)11-4/h6-7H,5H2,1-4H3
InChI Key:
UUBGGHKRCUMMSD-UHFFFAOYSA-N
SMILES:
CCC(=CC(C)C)C(=O)OC
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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