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166533-72-8 | 6-Heptenoic acid, 6-methyl-, ethyl ester
CAS No: 166533-72-8 Catalog No: AG001WTI MDL No:
Product Description
Catalog Number:
AG001WTI
Chemical Name:
6-Heptenoic acid, 6-methyl-, ethyl ester
CAS Number:
166533-72-8
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
ethyl 6-methylhept-6-enoate
InChI:
InChI=1S/C10H18O2/c1-4-12-10(11)8-6-5-7-9(2)3/h2,4-8H2,1,3H3
InChI Key:
DVJMDIXBABOVGB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(=C)C
Properties
Complexity:
150
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:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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