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190332-37-7 | Dodecanoic acid, 3,11-dimethyl-
CAS No: 190332-37-7 Catalog No: AG002EHF MDL No:
Product Description
Catalog Number:
AG002EHF
Chemical Name:
Dodecanoic acid, 3,11-dimethyl-
CAS Number:
190332-37-7
Molecular Formula:
C14H28O2
Molecular Weight:
228.3709
IUPAC Name:
3,11-dimethyldodecanoic acid
InChI:
InChI=1S/C14H28O2/c1-12(2)9-7-5-4-6-8-10-13(3)11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
InChI Key:
RXGAWROKQTVIJW-UHFFFAOYSA-N
SMILES:
CC(CCCCCCCC(CC(=O)O)C)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.209g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.376g/mol
Monoisotopic Mass:
228.209g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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