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17735-98-7 | 13,16-Docosadienoic acid, (13Z,16Z)-
CAS No: 17735-98-7 Catalog No: AG0025A6 MDL No:
Product Description
Catalog Number:
AG0025A6
Chemical Name:
13,16-Docosadienoic acid, (13Z,16Z)-
CAS Number:
17735-98-7
Molecular Formula:
C22H40O2
Molecular Weight:
336.5518
IUPAC Name:
(13Z,16Z)-docosa-13,16-dienoic acid
InChI:
InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9-
InChI Key:
HVGRZDASOHMCSK-HZJYTTRNSA-N
SMILES:
CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
336.303g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.56g/mol
Monoisotopic Mass:
336.303g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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