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1001-08-7 | Dodecanoic acid, 3,7,11-trimethyl-, methyl ester
CAS No: 1001-08-7 Catalog No: AG0000XI MDL No:
Product Description
Catalog Number:
AG0000XI
Chemical Name:
Dodecanoic acid, 3,7,11-trimethyl-, methyl ester
CAS Number:
1001-08-7
Molecular Formula:
C16H32O2
Molecular Weight:
256.4241
IUPAC Name:
methyl 3,7,11-trimethyldodecanoate
InChI:
InChI=1S/C16H32O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h13-15H,6-12H2,1-5H3
InChI Key:
YMFMGLHUWRLVMT-UHFFFAOYSA-N
SMILES:
COC(=O)CC(CCCC(CCCC(C)C)C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.24g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.43g/mol
Monoisotopic Mass:
256.24g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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