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89590-40-9 | 2-Heptenoic acid, 6-methyl-2-(3-methylbutyl)-, methyl ester, (Z)-
CAS No: 89590-40-9 Catalog No: AG003XK0 MDL No:
Product Description
Catalog Number:
AG003XK0
Chemical Name:
2-Heptenoic acid, 6-methyl-2-(3-methylbutyl)-, methyl ester, (Z)-
CAS Number:
89590-40-9
Molecular Formula:
C14H26O2
Molecular Weight:
226.3550
IUPAC Name:
methyl 6-methyl-2-(3-methylbutyl)hept-2-enoate
InChI:
InChI=1S/C14H26O2/c1-11(2)7-6-8-13(14(15)16-5)10-9-12(3)4/h8,11-12H,6-7,9-10H2,1-5H3
InChI Key:
UKLGHPRULXSSTO-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C\CCC(C)C)/CCC(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.193g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.36g/mol
Monoisotopic Mass:
226.193g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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