Home Carboxys 3-Methoxy-5-oxocyclohex-3-ene-1-carboxylic acid

3-Methoxy-5-oxocyclohex-3-ene-1-carboxylic acid

CAS No.:
95298-68-3
Catalog Number:
AG00IIYP
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$238
- +
5g
97%
In Stock USA
United States
$950
- +
Product Description
Catalog Number:
AG00IIYP
Chemical Name:
3-Methoxy-5-oxocyclohex-3-ene-1-carboxylic acid
CAS Number:
95298-68-3
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
MDL Number:
MFCD09910114
IUPAC Name:
3-methoxy-5-oxocyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C8H10O4/c1-12-7-3-5(8(10)11)2-6(9)4-7/h4-5H,2-3H2,1H3,(H,10,11)
InChI Key:
BKHQMEKQAGIFLU-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)CC(C1)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties