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29619-64-5 | Decanoic acid, 2-methyl-, methyl ester
CAS No: 29619-64-5 Catalog No: AG002YWM MDL No:
Product Description
Catalog Number:
AG002YWM
Chemical Name:
Decanoic acid, 2-methyl-, methyl ester
CAS Number:
29619-64-5
Molecular Formula:
C12H24O2
Molecular Weight:
200.3178
IUPAC Name:
methyl 2-methyldecanoate
InChI:
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-11(2)12(13)14-3/h11H,4-10H2,1-3H3
InChI Key:
ZWSMRUGTQTWTII-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(=O)OC)C
EC Number:
249-730-3
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.178g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.322g/mol
Monoisotopic Mass:
200.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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