Home Carboxys Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-oxo-, Methyl ester

Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-oxo-, Methyl ester

CAS No.:
64810-14-6
Catalog Number:
AG00EPBV
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
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Product Description
Catalog Number:
AG00EPBV
Chemical Name:
Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-oxo-, Methyl ester
CAS Number:
64810-14-6
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD24691239
IUPAC Name:
methyl 3-oxobicyclo[2.2.1]heptane-2-carboxylate
InChI:
InChI=1S/C9H12O3/c1-12-9(11)7-5-2-3-6(4-5)8(7)10/h5-7H,2-4H2,1H3
InChI Key:
PBSVJBWXMJTDDG-UHFFFAOYSA-N
SMILES:
COC(=O)C1C2CCC(C1=O)C2
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:
1.1  
Properties