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144462-52-2 | 13-Hexadecenoic acid, (13Z)-
CAS No: 144462-52-2 Catalog No: AG001JLH MDL No:
Product Description
Catalog Number:
AG001JLH
Chemical Name:
13-Hexadecenoic acid, (13Z)-
CAS Number:
144462-52-2
Molecular Formula:
C16H30O2
Molecular Weight:
254.4082
IUPAC Name:
hexadec-13-enoic acid
InChI:
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4H,2,5-15H2,1H3,(H,17,18)
InChI Key:
UFRASUJYZLLIJC-UHFFFAOYSA-N
SMILES:
CC/C=C\CCCCCCCCCCCC(=O)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.225g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.414g/mol
Monoisotopic Mass:
254.225g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.1
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