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32175-00-1 | trans-4-Methycyclohexyl isocyanate
CAS No: 32175-00-1 Catalog No: AG003UY6 MDL No:MFCD06411231
Product Description
Catalog Number:
AG003UY6
Chemical Name:
trans-4-Methycyclohexyl isocyanate
CAS Number:
32175-00-1
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD06411231
IUPAC Name:
1-isocyanato-4-methylcyclohexane
InChI:
InChI=1S/C8H13NO/c1-7-2-4-8(5-3-7)9-6-10/h7-8H,2-5H2,1H3
InChI Key:
SWSXEZOUBBVKCO-UHFFFAOYSA-N
SMILES:
CC1CCC(CC1)N=C=O
EC Number:
608-715-5
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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