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23126-68-3 | 1,3-Benzodioxole-5-carboxaldehyde, 6-amino-
CAS No: 23126-68-3 Catalog No: AG002M9D MDL No:MFCD00597978
Product Description
Catalog Number:
AG002M9D
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde, 6-amino-
CAS Number:
23126-68-3
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD00597978
IUPAC Name:
6-amino-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C8H7NO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4,9H2
InChI Key:
KAPAJCPOBXIQRP-UHFFFAOYSA-N
SMILES:
O=Cc1cc2OCOc2cc1N
NSC Number:
155251
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| First synthesis of 2-(benzofuran-2-yl)-6,7-methylene dioxyquinoline-3-carboxylic acid derivatives. | Beilstein journal of organic chemistry 20110101 |
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