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89747-95-5 | 6-Pentadecenoic acid
CAS No: 89747-95-5 Catalog No: AG004143 MDL No:
Product Description
Catalog Number:
AG004143
Chemical Name:
6-Pentadecenoic acid
CAS Number:
89747-95-5
Molecular Formula:
C15H28O2
Molecular Weight:
240.3816
IUPAC Name:
pentadec-6-enoic acid
InChI:
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h9-10H,2-8,11-14H2,1H3,(H,16,17)
InChI Key:
VQDOIVGYJXZOQY-UHFFFAOYSA-N
SMILES:
CCCCCCCCC=CCCCCC(=O)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.209g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.387g/mol
Monoisotopic Mass:
240.209g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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