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197576-42-4 | 10,13-Hexadecadienoic acid, (10Z,13Z)-
CAS No: 197576-42-4 Catalog No: AG002AWD MDL No:
Product Description
Catalog Number:
AG002AWD
Chemical Name:
10,13-Hexadecadienoic acid, (10Z,13Z)-
CAS Number:
197576-42-4
Molecular Formula:
C16H28O2
Molecular Weight:
252.3923
IUPAC Name:
hexadeca-10,13-dienoic acid
InChI:
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7H,2,5,8-15H2,1H3,(H,17,18)
InChI Key:
XGRRDPDMOZQXNV-UHFFFAOYSA-N
SMILES:
CC/C=C\C/C=C\CCCCCCCCC(=O)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.209g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.398g/mol
Monoisotopic Mass:
252.209g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.5
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