Home Carboxys 4-Oxo-2-carboxycycloheptane

4-Oxo-2-carboxycycloheptane

CAS No.:
90482-29-4
Catalog Number:
AG006P7A
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$464
- +
1g
97%
1 week
United States
$1105
- +
Product Description
Catalog Number:
AG006P7A
Chemical Name:
4-Oxo-2-carboxycycloheptane
CAS Number:
90482-29-4
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD11053707
IUPAC Name:
4-oxocycloheptane-1-carboxylic acid
InChI:
InChI=1S/C8H12O3/c9-7-3-1-2-6(4-5-7)8(10)11/h6H,1-5H2,(H,10,11)
InChI Key:
TUHVNUTVSDQMJV-UHFFFAOYSA-N
SMILES:
O=C1CCCC(CC1)C(=O)O
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties