Home Carboxys Methyl phthalide-5-carboxylate

Methyl phthalide-5-carboxylate

CAS No.:
23405-32-5
Catalog Number:
AG002N4U
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$63
- +
25g
98%
In Stock USA
United States
$225
- +
100g
98%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG002N4U
Chemical Name:
Methyl phthalide-5-carboxylate
CAS Number:
23405-32-5
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
MDL Number:
MFCD11046461
IUPAC Name:
methyl 1-oxo-3H-2-benzofuran-5-carboxylate
InChI:
InChI=1S/C10H8O4/c1-13-9(11)6-2-3-8-7(4-6)5-14-10(8)12/h2-4H,5H2,1H3
InChI Key:
DEVJBGUKNZVBFW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)COC2=O
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties