Home Other Building Blocks 1-isocyanato-3-methylcyclohexane, Mixture of diastereomers

1-isocyanato-3-methylcyclohexane, Mixture of diastereomers

CAS No.:
51163-23-6
Catalog Number:
AG01B321
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
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Product Description
Catalog Number:
AG01B321
Chemical Name:
1-isocyanato-3-methylcyclohexane, Mixture of diastereomers
CAS Number:
51163-23-6
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD18269670
IUPAC Name:
1-isocyanato-3-methylcyclohexane
InChI:
InChI=1S/C8H13NO/c1-7-3-2-4-8(5-7)9-6-10/h7-8H,2-5H2,1H3
InChI Key:
UJVPXDHXSWWVTJ-UHFFFAOYSA-N
SMILES:
O=C=NC1CCCC(C1)C
Properties
Complexity:
149  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties