Home Carboxys ethyl 7-amino-2H-1,3-benzodioxole-5-carboxylate

ethyl 7-amino-2H-1,3-benzodioxole-5-carboxylate

CAS No.:
1343291-63-3
Catalog Number:
AG01A5LT
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
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Product Description
Catalog Number:
AG01A5LT
Chemical Name:
ethyl 7-amino-2H-1,3-benzodioxole-5-carboxylate
CAS Number:
1343291-63-3
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD17276553
IUPAC Name:
ethyl 7-amino-1,3-benzodioxole-5-carboxylate
InChI:
InChI=1S/C10H11NO4/c1-2-13-10(12)6-3-7(11)9-8(4-6)14-5-15-9/h3-4H,2,5,11H2,1H3
InChI Key:
JVDNNXIBLOPMEW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(N)c2c(c1)OCO2
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties