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89622-13-9 | Cyclohexene, 4-(1-isocyanatoethyl)-1-methyl-
CAS No: 89622-13-9 Catalog No: AG003X8U MDL No:
Product Description
Catalog Number:
AG003X8U
Chemical Name:
Cyclohexene, 4-(1-isocyanatoethyl)-1-methyl-
CAS Number:
89622-13-9
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
IUPAC Name:
4-(1-isocyanatoethyl)-1-methylcyclohexene
InChI:
InChI=1S/C10H15NO/c1-8-3-5-10(6-4-8)9(2)11-7-12/h3,9-10H,4-6H2,1-2H3
InChI Key:
FHWNNESSBURLLQ-UHFFFAOYSA-N
SMILES:
O=C=NC(C1CCC(=CC1)C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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