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138910-23-3 | 9,12-Pentadecadienoic acid, (Z,Z)- (9CI)
CAS No: 138910-23-3 Catalog No: AG0019T7 MDL No:
Product Description
Catalog Number:
AG0019T7
Chemical Name:
9,12-Pentadecadienoic acid, (Z,Z)- (9CI)
CAS Number:
138910-23-3
Molecular Formula:
C15H26O2
Molecular Weight:
238.3657
IUPAC Name:
pentadeca-9,12-dienoic acid
InChI:
InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h3-4,6-7H,2,5,8-14H2,1H3,(H,16,17)
InChI Key:
HWONQRSPLSUZTQ-UHFFFAOYSA-N
SMILES:
CC/C=C\C/C=C\CCCCCCCC(=O)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.193g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.371g/mol
Monoisotopic Mass:
238.193g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.9
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