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918503-39-6 | 7-Nonenoic acid, 2-chloro-8-methyl-3-oxo-, ethyl ester
CAS No: 918503-39-6 Catalog No: AG006DNZ MDL No:
Product Description
Catalog Number:
AG006DNZ
Chemical Name:
7-Nonenoic acid, 2-chloro-8-methyl-3-oxo-, ethyl ester
CAS Number:
918503-39-6
Molecular Formula:
C12H19ClO3
Molecular Weight:
246.7305
IUPAC Name:
ethyl 2-chloro-8-methyl-3-oxonon-7-enoate
InChI:
InChI=1S/C12H19ClO3/c1-4-16-12(15)11(13)10(14)8-6-5-7-9(2)3/h7,11H,4-6,8H2,1-3H3
InChI Key:
ZLHYQZVDTWPUNM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)CCCC=C(C)C)Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.102g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.731g/mol
Monoisotopic Mass:
246.102g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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