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137761-18-3 | Dodecanoic acid, 3,7,11-trimethyl-10-oxo-
CAS No: 137761-18-3 Catalog No: AG0013TI MDL No:
Product Description
Catalog Number:
AG0013TI
Chemical Name:
Dodecanoic acid, 3,7,11-trimethyl-10-oxo-
CAS Number:
137761-18-3
Molecular Formula:
C15H28O3
Molecular Weight:
256.3810
IUPAC Name:
3,7,11-trimethyl-10-oxododecanoic acid
InChI:
InChI=1S/C15H28O3/c1-11(2)14(16)9-8-12(3)6-5-7-13(4)10-15(17)18/h11-13H,5-10H2,1-4H3,(H,17,18)
InChI Key:
ADXMPKRQVCZMLZ-UHFFFAOYSA-N
SMILES:
CC(CCC(=O)C(C)C)CCCC(CC(=O)O)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.204g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.386g/mol
Monoisotopic Mass:
256.204g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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