Home Carboxys methyl 3,3-dimethyl-2-oxocycloheptane-1-carboxylate

methyl 3,3-dimethyl-2-oxocycloheptane-1-carboxylate

CAS No.:
1190305-65-7
Catalog Number:
AG01EJXU
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
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Product Description
Catalog Number:
AG01EJXU
Chemical Name:
methyl 3,3-dimethyl-2-oxocycloheptane-1-carboxylate
CAS Number:
1190305-65-7
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
MDL Number:
MFCD23134130
IUPAC Name:
methyl 3,3-dimethyl-2-oxocycloheptane-1-carboxylate
InChI:
InChI=1S/C11H18O3/c1-11(2)7-5-4-6-8(9(11)12)10(13)14-3/h8H,4-7H2,1-3H3
InChI Key:
HAAQXBYJIKIBOX-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCCC(C1=O)(C)C
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties