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175732-06-6 | Decanoic acid, 3-hydroxy-2,2-dimethyl-, methyl ester
CAS No: 175732-06-6 Catalog No: AG002153 MDL No:
Product Description
Catalog Number:
AG002153
Chemical Name:
Decanoic acid, 3-hydroxy-2,2-dimethyl-, methyl ester
CAS Number:
175732-06-6
Molecular Formula:
C13H26O3
Molecular Weight:
230.3437
IUPAC Name:
methyl 3-hydroxy-2,2-dimethyldecanoate
InChI:
InChI=1S/C13H26O3/c1-5-6-7-8-9-10-11(14)13(2,3)12(15)16-4/h11,14H,5-10H2,1-4H3
InChI Key:
QNVUXKVMKHJCLI-UHFFFAOYSA-N
SMILES:
CCCCCCCC(C(C(=O)OC)(C)C)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.188g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.348g/mol
Monoisotopic Mass:
230.188g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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