Home Carboxys methyl 6-cyano-2-oxaspiro[3.3]heptane-6-carboxylate

methyl 6-cyano-2-oxaspiro[3.3]heptane-6-carboxylate

CAS No.:
1423033-43-5
Catalog Number:
AG01A1JV
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
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Product Description
Catalog Number:
AG01A1JV
Chemical Name:
methyl 6-cyano-2-oxaspiro[3.3]heptane-6-carboxylate
CAS Number:
1423033-43-5
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD22421870
IUPAC Name:
methyl 6-cyano-2-oxaspiro[3.3]heptane-6-carboxylate
InChI:
InChI=1S/C9H11NO3/c1-12-7(11)9(4-10)2-8(3-9)5-13-6-8/h2-3,5-6H2,1H3
InChI Key:
MINVJBSZZWVFIH-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C#N)CC2(C1)COC2
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties