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13231-74-8 | 8-Heptadecene, 1-isocyanato-
CAS No: 13231-74-8 Catalog No: AG0010IM MDL No:
Product Description
Catalog Number:
AG0010IM
Chemical Name:
8-Heptadecene, 1-isocyanato-
CAS Number:
13231-74-8
Molecular Formula:
C18H33NO
Molecular Weight:
279.4607
IUPAC Name:
1-isocyanatoheptadec-8-ene
InChI:
InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-20/h9-10H,2-8,11-17H2,1H3
InChI Key:
JFTDOMLDUCERLW-UHFFFAOYSA-N
SMILES:
CCCCCCCCC=CCCCCCCCN=C=O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.256g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.468g/mol
Monoisotopic Mass:
279.256g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.4
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