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57319-65-0 | 6-aminoisobenzofuran-1(3H)-one
CAS No: 57319-65-0 Catalog No: AG00368K MDL No:MFCD00033530
Product Description
Catalog Number:
AG00368K
Chemical Name:
6-aminoisobenzofuran-1(3H)-one
CAS Number:
57319-65-0
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD00033530
IUPAC Name:
6-amino-3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H7NO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4,9H2
InChI Key:
ZIJZDNKZJZUROE-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)C(=O)OC2
EC Number:
260-675-4
NSC Number:
49585
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Photoinduced intramolecular charge transfer to meta position of benzene ring in 6-aminophthalides. | Physical chemistry chemical physics : PCCP 20051221 |
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