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1842-70-2 | Octadecanoic acid,9-oxo-, methyl ester
CAS No: 1842-70-2 Catalog No: AG00387O MDL No:
Product Description
Catalog Number:
AG00387O
Chemical Name:
Octadecanoic acid,9-oxo-, methyl ester
CAS Number:
1842-70-2
Molecular Formula:
C19H36O3
Molecular Weight:
312.4873
IUPAC Name:
methyl 9-oxooctadecanoate
InChI:
InChI=1S/C19H36O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h3-17H2,1-2H3
InChI Key:
NNUFZSSGONRIJT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)CCCCCCCC(=O)OC
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.266g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.494g/mol
Monoisotopic Mass:
312.266g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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