7-Aminoisoindolin-1-one

CAT: 0127-OR93113-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR93113-01Size:250 mg

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

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CAS Number

169044-98-8

MDL Number

MFCD09396704

Purity

98%

Smiles

NC1=C2C(=O)NCC2=CC=C1

Chemical Information

7-Amino-2,3-dihydro-1H-isoindol-1-one

CAS Number	169044-98-8
PubChem CID	16228923
IUPAC Name	7-amino-2,3-dihydroisoindol-1-one
Molecular Formula	C8H8N2O
Molecular Weight	148.16
XLogP	0.6
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	181

SMILES

C1C2=C(C(=CC=C2)N)C(=O)N1

InChI

InChI=1S/C8H8N2O/c9-6-3-1-2-5-4-10-8(11)7(5)6/h1-3H,4,9H2,(H,10,11)

InChIKey

ZPJBSWJZELXZKA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 169044-98-8

CID: 16228923

Formula: C8H8N2O

MW: 148.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.16
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	148.063662883
Monoisotopic Mass	148.063662883
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	181
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