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113749-07-8 | Nonanoic acid, 3-acetyl-, methyl ester
CAS No: 113749-07-8 Catalog No: AG0009KU MDL No:
Product Description
Catalog Number:
AG0009KU
Chemical Name:
Nonanoic acid, 3-acetyl-, methyl ester
CAS Number:
113749-07-8
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
methyl 3-acetylnonanoate
InChI:
InChI=1S/C12H22O3/c1-4-5-6-7-8-11(10(2)13)9-12(14)15-3/h11H,4-9H2,1-3H3
InChI Key:
KXPWJELDCRJNMO-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)C)CC(=O)OC
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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