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101452-98-6 | Dodecanoic acid, 2-propyl-
CAS No: 101452-98-6 Catalog No: AG0004HX MDL No:
Product Description
Catalog Number:
AG0004HX
Chemical Name:
Dodecanoic acid, 2-propyl-
CAS Number:
101452-98-6
Molecular Formula:
C15H30O2
Molecular Weight:
242.3975
IUPAC Name:
2-propyldodecanoic acid
InChI:
InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChI Key:
NJUGDERYCCDBMJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(C(=O)O)CCC
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.225g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.403g/mol
Monoisotopic Mass:
242.225g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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