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19998-93-7 | Dodecanoic acid, 4-methyl-
CAS No: 19998-93-7 Catalog No: AG002CH4 MDL No:
Product Description
Catalog Number:
AG002CH4
Chemical Name:
Dodecanoic acid, 4-methyl-
CAS Number:
19998-93-7
Molecular Formula:
C13H26O2
Molecular Weight:
214.3443
IUPAC Name:
4-methyldodecanoic acid
InChI:
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-12(2)10-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
InChI Key:
STDXFMGAJMQOFF-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(CCC(=O)O)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.193g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.349g/mol
Monoisotopic Mass:
214.193g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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