Home Carboxys Methyl 1,3-benzodioxole-4-carboxylate

Methyl 1,3-benzodioxole-4-carboxylate

CAS No.:
33842-16-9
Catalog Number:
AG003RJL
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$78
- +
5g
98%
In Stock USA
United States
$182
- +
10g
98%
In Stock USA
United States
$313
- +
25g
98%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG003RJL
Chemical Name:
Methyl 1,3-benzodioxole-4-carboxylate
CAS Number:
33842-16-9
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD01546796
IUPAC Name:
methyl 1,3-benzodioxole-4-carboxylate
InChI:
InChI=1S/C9H8O4/c1-11-9(10)6-3-2-4-7-8(6)13-5-12-7/h2-4H,5H2,1H3
InChI Key:
KRPFJCUXHWEVMS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1OCO2
NSC Number:
146459
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties