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101330-74-9 | 9-Octadecynoic acid, 8-oxo-, methyl ester
CAS No: 101330-74-9 Catalog No: AG00049G MDL No:
Product Description
Catalog Number:
AG00049G
Chemical Name:
9-Octadecynoic acid, 8-oxo-, methyl ester
CAS Number:
101330-74-9
Molecular Formula:
C19H32O3
Molecular Weight:
308.4556
IUPAC Name:
methyl 8-oxooctadec-9-ynoate
InChI:
InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-12-15-18(20)16-13-10-11-14-17-19(21)22-2/h3-11,13-14,16-17H2,1-2H3
InChI Key:
NLEWYDKBCGSSNV-UHFFFAOYSA-N
SMILES:
CCCCCCCCC#CC(=O)CCCCCCC(=O)OC
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.235g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.462g/mol
Monoisotopic Mass:
308.235g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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