Home Carboxys methyl 1-cyano-3-methylcyclobutane-1-carboxylate

methyl 1-cyano-3-methylcyclobutane-1-carboxylate

CAS No.:
1343983-86-7
Catalog Number:
AG019ZL8
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG019ZL8
Chemical Name:
methyl 1-cyano-3-methylcyclobutane-1-carboxylate
CAS Number:
1343983-86-7
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD19683108
IUPAC Name:
methyl 1-cyano-3-methylcyclobutane-1-carboxylate
InChI:
InChI=1S/C8H11NO2/c1-6-3-8(4-6,5-9)7(10)11-2/h6H,3-4H2,1-2H3
InChI Key:
KKVFPNSVHBFTBY-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C#N)CC(C1)C
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties