Name: Name:methyl 6-amino-2H-1,3-benzodioxole-5-carboxylate
Brand: Angene
SKU: AG01BDMU
Rating: 90 (10 reviews)

methyl 6-amino-2H-1,3-benzodioxole-5-carboxylate

CAS No.:

40680-63-5

Catalog Number:

AG01BDMU

Molecular Formula:

C9H9NO4

Molecular Weight:

195.1721

Catalog Number:

AG01BDMU

Chemical Name:

methyl 6-amino-2H-1,3-benzodioxole-5-carboxylate

CAS Number:

40680-63-5

Molecular Formula:

C9H9NO4

Molecular Weight:

195.1721

MDL Number:

MFCD00835593

IUPAC Name:

methyl 6-amino-1,3-benzodioxole-5-carboxylate

InChI:

InChI=1S/C9H9NO4/c1-12-9(11)5-2-7-8(3-6(5)10)14-4-13-7/h2-3H,4,10H2,1H3

InChI Key:

DXWUYJUHIZEMFP-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc2OCOc2cc1N

NSC Number:

155253

Complexity:

233

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.174g/mol

Monoisotopic Mass:

195.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5