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166520-98-5 | Dodecanoic acid, 9-decen-1-yl ester
CAS No: 166520-98-5 Catalog No: AG001WT9 MDL No:
Product Description
Catalog Number:
AG001WT9
Chemical Name:
Dodecanoic acid, 9-decen-1-yl ester
CAS Number:
166520-98-5
Molecular Formula:
C22H42O2
Molecular Weight:
338.5677
IUPAC Name:
dec-9-enyl dodecanoate
InChI:
InChI=1S/C22H42O2/c1-3-5-7-9-11-13-14-16-18-20-22(23)24-21-19-17-15-12-10-8-6-4-2/h4H,2-3,5-21H2,1H3
InChI Key:
RLZIIYYLBOKIHP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OCCCCCCCCC=C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.318g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.576g/mol
Monoisotopic Mass:
338.318g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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