Home Carboxys Cycloheptanecarboxylic acid, 4-oxo-, methyl ester

Cycloheptanecarboxylic acid, 4-oxo-, methyl ester

CAS No.:
17607-00-0
Catalog Number:
AG0021F3
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
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Product Description
Catalog Number:
AG0021F3
Chemical Name:
Cycloheptanecarboxylic acid, 4-oxo-, methyl ester
CAS Number:
17607-00-0
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD11053676
IUPAC Name:
methyl 4-oxocycloheptane-1-carboxylate
InChI:
InChI=1S/C9H14O3/c1-12-9(11)7-3-2-4-8(10)6-5-7/h7H,2-6H2,1H3
InChI Key:
HARDIFNYOCNPTL-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCC(=O)CC1
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties