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874478-15-6 | 1(3H)-Isobenzofuranone, 6-(methylamino)-
CAS No: 874478-15-6 Catalog No: AG004HHS MDL No:
Product Description
Catalog Number:
AG004HHS
Chemical Name:
1(3H)-Isobenzofuranone, 6-(methylamino)-
CAS Number:
874478-15-6
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
6-(methylamino)-3H-2-benzofuran-1-one
InChI:
InChI=1S/C9H9NO2/c1-10-7-3-2-6-5-12-9(11)8(6)4-7/h2-4,10H,5H2,1H3
InChI Key:
HKZDULJCAZKDQE-UHFFFAOYSA-N
SMILES:
CNc1ccc2c(c1)C(=O)OC2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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