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190083-35-3 | 8-Nonenoic acid, 2,2-dimethyl-, ethyl ester
CAS No: 190083-35-3 Catalog No: AG002EB4 MDL No:
Product Description
Catalog Number:
AG002EB4
Chemical Name:
8-Nonenoic acid, 2,2-dimethyl-, ethyl ester
CAS Number:
190083-35-3
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
ethyl 2,2-dimethylnon-8-enoate
InChI:
InChI=1S/C13H24O2/c1-5-7-8-9-10-11-13(3,4)12(14)15-6-2/h5H,1,6-11H2,2-4H3
InChI Key:
XCZYLIVBZRWXNL-UHFFFAOYSA-N
SMILES:
C=CCCCCCC(C(=O)OCC)(C)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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