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116790-82-0 | Heptadecatrienoic acid, 12-oxo- (9CI)
CAS No: 116790-82-0 Catalog No: AG000D82 MDL No:
Product Description
Catalog Number:
AG000D82
Chemical Name:
Heptadecatrienoic acid, 12-oxo- (9CI)
CAS Number:
116790-82-0
Molecular Formula:
C17H26O3
Molecular Weight:
278.3865
IUPAC Name:
12-oxoheptadeca-2,4,6-trienoic acid
InChI:
InChI=1S/C17H26O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h4-5,7,9,12,15H,2-3,6,8,10-11,13-14H2,1H3,(H,19,20)
InChI Key:
CCSWOVPMGNFCTD-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)CCCCC=CC=CC=CC(=O)O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.188g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.392g/mol
Monoisotopic Mass:
278.188g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
4.3
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