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149488-89-1 | Cyclohexene, 1-(2-isothiocyanatoethyl)-
CAS No: 149488-89-1 Catalog No: AG001LQY MDL No:MFCD00052164
Product Description
Catalog Number:
AG001LQY
Chemical Name:
Cyclohexene, 1-(2-isothiocyanatoethyl)-
CAS Number:
149488-89-1
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD00052164
IUPAC Name:
1-(2-isothiocyanatoethyl)cyclohexene
InChI:
InChI=1S/C9H13NS/c11-8-10-7-6-9-4-2-1-3-5-9/h4H,1-3,5-7H2
InChI Key:
ODRCTXFHFSJYPA-UHFFFAOYSA-N
SMILES:
S=C=NCCC1=CCCCC1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.077g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.27g/mol
Monoisotopic Mass:
167.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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