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144896-23-1 | Butanoic acid, (1S)-1-methylundecyl ester
CAS No: 144896-23-1 Catalog No: AG001KB7 MDL No:
Product Description
Catalog Number:
AG001KB7
Chemical Name:
Butanoic acid, (1S)-1-methylundecyl ester
CAS Number:
144896-23-1
Molecular Formula:
C16H32O2
Molecular Weight:
256.4241
IUPAC Name:
dodecan-2-yl butanoate
InChI:
InChI=1S/C16H32O2/c1-4-6-7-8-9-10-11-12-14-15(3)18-16(17)13-5-2/h15H,4-14H2,1-3H3
InChI Key:
IQGXQZDXRJRJFT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC[C@@H](OC(=O)CCC)C
Properties
Complexity:
190
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:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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