Home Carboxys 4-Oxoadamantane-1-carboxylic acid methyl ester

4-Oxoadamantane-1-carboxylic acid methyl ester

CAS No.:
56674-88-5
Catalog Number:
AG00E96X
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
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Product Description
Catalog Number:
AG00E96X
Chemical Name:
4-Oxoadamantane-1-carboxylic acid methyl ester
CAS Number:
56674-88-5
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD00181718
IUPAC Name:
methyl 4-oxoadamantane-1-carboxylate
InChI:
InChI=1S/C12H16O3/c1-15-11(14)12-4-7-2-8(5-12)10(13)9(3-7)6-12/h7-9H,2-6H2,1H3
InChI Key:
DUPFRYAOGHZOCO-UHFFFAOYSA-N
SMILES:
COC(=O)C12CC3CC(C2)C(=O)C(C1)C3
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties