Home Aminos 7-aminoisochroman-1-one

7-aminoisochroman-1-one

CAS No.:
66122-73-4
Catalog Number:
AG01DSV5
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
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Product Description
Catalog Number:
AG01DSV5
Chemical Name:
7-aminoisochroman-1-one
CAS Number:
66122-73-4
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD20708165
IUPAC Name:
7-amino-3,4-dihydroisochromen-1-one
InChI:
InChI=1S/C9H9NO2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-2,5H,3-4,10H2
InChI Key:
HWASVJTYFOHEMY-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)C(=O)OCC2
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:
0
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties