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83566-49-8 | 2-Tetradecenoic acid, 12-methyl-
CAS No: 83566-49-8 Catalog No: AG004UFO MDL No:
Product Description
Catalog Number:
AG004UFO
Chemical Name:
2-Tetradecenoic acid, 12-methyl-
CAS Number:
83566-49-8
Molecular Formula:
C15H28O2
Molecular Weight:
240.3816
IUPAC Name:
12-methyltetradec-2-enoic acid
InChI:
InChI=1S/C15H28O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h11,13-14H,3-10,12H2,1-2H3,(H,16,17)
InChI Key:
NFVGAUSSOLRHTO-UHFFFAOYSA-N
SMILES:
CCC(CCCCCCCCC=CC(=O)O)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.209g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.387g/mol
Monoisotopic Mass:
240.209g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
6.2
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