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89272-65-1 | 6-Heptenoic acid, 4,6-dimethyl-, methyl ester, (R)-
CAS No: 89272-65-1 Catalog No: AG00418U MDL No:
Product Description
Catalog Number:
AG00418U
Chemical Name:
6-Heptenoic acid, 4,6-dimethyl-, methyl ester, (R)-
CAS Number:
89272-65-1
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
methyl 4,6-dimethylhept-6-enoate
InChI:
InChI=1S/C10H18O2/c1-8(2)7-9(3)5-6-10(11)12-4/h9H,1,5-7H2,2-4H3
InChI Key:
PVUJWRGCWZHVTA-UHFFFAOYSA-N
SMILES:
COC(=O)CC[C@H](CC(=C)C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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