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144406-91-7 | Dodecanoic acid, 2,9-dimethyl-
CAS No: 144406-91-7 Catalog No: AG001JH0 MDL No:
Product Description
Catalog Number:
AG001JH0
Chemical Name:
Dodecanoic acid, 2,9-dimethyl-
CAS Number:
144406-91-7
Molecular Formula:
C14H28O2
Molecular Weight:
228.3709
IUPAC Name:
2,9-dimethyldodecanoic acid
InChI:
InChI=1S/C14H28O2/c1-4-9-12(2)10-7-5-6-8-11-13(3)14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
InChI Key:
RAKCAVZTDSLUIC-UHFFFAOYSA-N
SMILES:
CCCC(CCCCCCC(C(=O)O)C)C
Properties
Complexity:
178
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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