Home Aminos 4-amino-3-methyl-1,3-dihydro-2-benzofuran-1-one

4-amino-3-methyl-1,3-dihydro-2-benzofuran-1-one

CAS No.:
705281-79-4
Catalog Number:
AG01AD4A
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
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Product Description
Catalog Number:
AG01AD4A
Chemical Name:
4-amino-3-methyl-1,3-dihydro-2-benzofuran-1-one
CAS Number:
705281-79-4
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD20693862
IUPAC Name:
4-amino-3-methyl-3H-2-benzofuran-1-one
InChI:
InChI=1S/C9H9NO2/c1-5-8-6(9(11)12-5)3-2-4-7(8)10/h2-5H,10H2,1H3
InChI Key:
OLARWMMQYDRQHZ-UHFFFAOYSA-N
SMILES:
CC1OC(=O)c2c1c(N)ccc2
Properties
Complexity:
205  
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:
0
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties