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101968-06-3 | 3-Pentenoic acid, 2,4-dimethyl-, ethyl ester, (2R)-
CAS No: 101968-06-3 Catalog No: AG00063X MDL No:
Product Description
Catalog Number:
AG00063X
Chemical Name:
3-Pentenoic acid, 2,4-dimethyl-, ethyl ester, (2R)-
CAS Number:
101968-06-3
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
ethyl 2,4-dimethylpent-3-enoate
InChI:
InChI=1S/C9H16O2/c1-5-11-9(10)8(4)6-7(2)3/h6,8H,5H2,1-4H3
InChI Key:
GNBIQCPIQWOVLY-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H](C=C(C)C)C
Properties
Complexity:
155
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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