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90284-25-6 | 8-Hexadecynoic acid
CAS No: 90284-25-6 Catalog No: AG006GO6 MDL No:
Product Description
Catalog Number:
AG006GO6
Chemical Name:
8-Hexadecynoic acid
CAS Number:
90284-25-6
Molecular Formula:
C16H28O2
Molecular Weight:
252.3923
IUPAC Name:
hexadec-8-ynoic acid
InChI:
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-7,10-15H2,1H3,(H,17,18)
InChI Key:
OGXDPOIXMXFWHX-UHFFFAOYSA-N
SMILES:
CCCCCCCC#CCCCCCCC(=O)O
Properties
Complexity:
257
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:
11
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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