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101968-07-4 | 3-Pentenoic acid, 2,4-dimethyl-, methyl ester, (2R)-
CAS No: 101968-07-4 Catalog No: AG00063W MDL No:
Product Description
Catalog Number:
AG00063W
Chemical Name:
3-Pentenoic acid, 2,4-dimethyl-, methyl ester, (2R)-
CAS Number:
101968-07-4
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
methyl 2,4-dimethylpent-3-enoate
InChI:
InChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h5,7H,1-4H3
InChI Key:
BOWCUAPJAGGEBN-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H](C=C(C)C)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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