Home Carboxys methyl 4-isocyanatocyclohexane-1-carboxylate

methyl 4-isocyanatocyclohexane-1-carboxylate

CAS No.:
1486470-18-1
Catalog Number:
AG01A4DB
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
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Product Description
Catalog Number:
AG01A4DB
Chemical Name:
methyl 4-isocyanatocyclohexane-1-carboxylate
CAS Number:
1486470-18-1
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
MDL Number:
MFCD23701842
IUPAC Name:
methyl 4-isocyanatocyclohexane-1-carboxylate
InChI:
InChI=1S/C9H13NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h7-8H,2-5H2,1H3
InChI Key:
RBJRMTCRJZVWGG-UHFFFAOYSA-N
SMILES:
O=C=NC1CCC(CC1)C(=O)OC
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties