Home Carboxys methyl 5-oxobicyclo[2.2.1]heptane-2-carboxylate

methyl 5-oxobicyclo[2.2.1]heptane-2-carboxylate

CAS No.:
2119687-65-7
Catalog Number:
AG01EJU6
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
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Product Description
Catalog Number:
AG01EJU6
Chemical Name:
methyl 5-oxobicyclo[2.2.1]heptane-2-carboxylate
CAS Number:
2119687-65-7
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD24736054
IUPAC Name:
methyl 5-oxobicyclo[2.2.1]heptane-2-carboxylate
InChI:
InChI=1S/C9H12O3/c1-12-9(11)7-3-6-2-5(7)4-8(6)10/h5-7H,2-4H2,1H3
InChI Key:
FYGMBAGJDTTWSE-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC2CC1CC2=O
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties