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20332-16-5
6-AMINO-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID
Name
6-AMINO-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID
Formula
C8 H7 N O4
MolWeight
181.146
1Identification
【Name】
6-AMINO-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00016650
【English Synonyms】
【Formula】
C8 H7 N O4
【MolWeight】
181.146
【Inchi】
InChI=1S/C8H7NO4/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-2H,3,9H2,(H,10,11)
【InChIKey】
InChIKey=OJTOAMSTANUUMJ-UHFFFAOYSA-N
【SMILES】
c1c(c(cc2c1OCO2)N)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6-AMINO-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID.cml
Quick Release
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