Home Carboxys Methyl 1,3-benzodioxole-5-carboxylate

Methyl 1,3-benzodioxole-5-carboxylate

CAS No.:
326-56-7
Catalog Number:
AG00C8DK
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$188
- +
10g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG00C8DK
Chemical Name:
Methyl 1,3-benzodioxole-5-carboxylate
CAS Number:
326-56-7
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00030273
IUPAC Name:
methyl 1,3-benzodioxole-5-carboxylate
InChI:
InChI=1S/C9H8O4/c1-11-9(10)6-2-3-7-8(4-6)13-5-12-7/h2-4H,5H2,1H3
InChI Key:
QCHGUEIECOASJU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)OCO2
EC Number:
206-309-9
UNII:
VAB2E5C0S5
NSC Number:
21790
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:
1.4  
Properties