Home Carboxys Methyl 2-oxo-1-cycloheptanecarboxylate

Methyl 2-oxo-1-cycloheptanecarboxylate

CAS No.:
52784-32-4
Catalog Number:
AG003ROZ
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$69
- +
10g
97%
In Stock USA
United States
$119
- +
25g
97%
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG003ROZ
Chemical Name:
Methyl 2-oxo-1-cycloheptanecarboxylate
CAS Number:
52784-32-4
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD00010809
IUPAC Name:
methyl 2-oxocycloheptane-1-carboxylate
InChI:
InChI=1S/C9H14O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h7H,2-6H2,1H3
InChI Key:
BLNHITXSJKCQGZ-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCCCC1=O
NSC Number:
148967
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:
1.6  
Literature
Title Journal
Structure-activity relationship for the first-in-class clinical steroid sulfatase inhibitor Irosustat (STX64, BN83495). ChemMedChem 20111104
Properties