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113952-29-7 | 9-Octadecenoyl isocyanate, (Z)- (9CI)
CAS No: 113952-29-7 Catalog No: AG000A4Z MDL No:
Product Description
Catalog Number:
AG000A4Z
Chemical Name:
9-Octadecenoyl isocyanate, (Z)- (9CI)
CAS Number:
113952-29-7
Molecular Formula:
C19H33NO2
Molecular Weight:
307.4708
IUPAC Name:
octadec-9-enoyl isocyanate
InChI:
InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18-21/h9-10H,2-8,11-17H2,1H3
InChI Key:
FQSWVADHNGQZOF-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)N=C=O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.251g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.478g/mol
Monoisotopic Mass:
307.251g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.4
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