Isoindolin-4-ol hydrochloride

CAT: 0926-XCA69520-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-XCA69520-01Size:0.5 g

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CAS Number

72695-20-6

MDL Number

MFCD10700136

Smiles

C1C2=C (CN1) C (=CC=C2) O.Cl

Molecular Formula

C8H9NO·HCl

Molecular Weight

171.62 g/mol

Controlled

Chemical Information

Isoindolin-4-ol hydrochloride

CAS Number	72695-20-6
PubChem CID	60145939
IUPAC Name	2,3-dihydro-1H-isoindol-4-ol;hydrochloride
Molecular Formula	C8H10ClNO
Molecular Weight	171.62
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	126

SMILES

C1C2=C(CN1)C(=CC=C2)O.Cl

InChI

InChI=1S/C8H9NO.ClH/c10-8-3-1-2-6-4-9-5-7(6)8;/h1-3,9-10H,4-5H2;1H

InChIKey

UXGOPUCDMKDIID-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72695-20-6

CID: 60145939

Formula: C8H10ClNO

MW: 171.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.62
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	171.0450916
Monoisotopic Mass	171.0450916
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	126
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	2
Compound Is Canonicalized	Yes

Catalog	Name
FEA35858-01	Isoindolin-5-ol Hydrobromide
REA00872	Pyridazin-4-ol hydrochloride
RDA77453	4-Methylazepan-4-ol hydrochloride
BAA20288-01	4-Phenylazepan-4-ol hydrochloride
UGD90146-01	4-Ethynylpiperidin-4-ol hydrochloride
XAA10818-01	4-Cyclohexylpiperidin-4-ol hydrochloride
BKD16141-01	4-Cyclobutylpiperidin-4-ol hydrochloride
EEC94987-01	4-Ethylpiperidin-4-ol hydrochloride
SDA25985	Isoindolin-4-amine dihydrochloride
JBD30919-01	4,4-Dimethoxypiperidin-3-ol hydrochloride

Catalog	Name
OR91893-01	Isoindolin-4-ol hydrochloride
OR1071139-01	5- (Aminomethyl) isoindolin-1-one hydrochloride
OR1064149-01	Pyridin-4-ol hydrochloride
OR80766-01	Piperidin-4-ol hydrochloride
91774-53-7-01	4-methylazepan-4-ol hydrochloride
275803-01	4-Ethylpiperidin-4-ol hydrochloride
OR1052173-01	4-Phenylpiperidin-4-ol hydrochloride
TRC-C998265-1G	4-Cyclopropylpiperidin-4-ol Hydrochloride
OR78624-01	4-Ethynylpiperidin-4-ol hydrochloride
OR1044474-01	6- (Aminomethyl) isoindolin-1-one hydrochloride