7-Aminoisochroman-1-one

CAT: 0926-RCA12273-01Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-RCA12273-01Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

66122-73-4

MDL Number

MFCD20708165

Smiles

C1COC (=O) C2=C1C=CC (=C2) N

Molecular Formula

C9H9NO2

Molecular Weight

163.17 g/mol

Controlled

Chemical Information

7-Aminoisochroman-1-one

CAS Number	66122-73-4
PubChem CID	12401177
IUPAC Name	7-amino-3,4-dihydroisochromen-1-one
Molecular Formula	C9H9NO2
Molecular Weight	163.17
XLogP	1.1
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	193

SMILES

C1COC(=O)C2=C1C=CC(=C2)N

InChI

InChI=1S/C9H9NO2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-2,5H,3-4,10H2

InChIKey

HWASVJTYFOHEMY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66122-73-4

CID: 12401177

Formula: C9H9NO2

MW: 163.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.17
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	163.063328530
Monoisotopic Mass	163.063328530
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AAA33286-01	1,1,1,7,7,7-Hexafluoroheptan-4-one
UGA04498-01	7-Aminoisoindolin-1-one
VAA14183	7-Nitroisoquinolin-1 (2H) -one
FD140252-01	1,7-Dichloroheptan-4-one
JCA64724-01	7-Hydroxyisoquinolin-1 (2H) -one
IMB69007-01	7,7-Dimethyl-1,4-diazepan-5-one
YPD38631-01	7-Amino-1-phenylheptan-1-one hydrochloride
RAA02716-01	7-Methoxy-1,2-dihydroisoquinolin-1-one
DEA85457-01	1- (Quinolin-7-yl) ethan-1-one
KCA88922-01	7-Methoxy-1,2-dihydrophthalazin-1-one