5-Methylisoindoline Hydrochloride

CAT: 1596-AR-I03634-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I03634-01Size:10 Units

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CAS Number

1204600-16-7

Molecular Formula

C9H11N. HCl

Molecular Weight

133.19 36.46

API Name

Indole

Chemical Information

5-methyl-2,3-dihydro-1H-isoindole hydrochloride

CAS Number	1204600-16-7
PubChem CID	68518492
IUPAC Name	5-methyl-2,3-dihydro-1H-isoindole;hydrochloride
Molecular Formula	C9H12ClN
Molecular Weight	169.65
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	122

SMILES

CC1=CC2=C(CNC2)C=C1.Cl

InChI

InChI=1S/C9H11N.ClH/c1-7-2-3-8-5-10-6-9(8)4-7;/h2-4,10H,5-6H2,1H3;1H

InChIKey

OFLAYXMGVFFUGQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1204600-16-7

CID: 68518492

Formula: C9H12ClN

MW: 169.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.65
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	169.0658271
Monoisotopic Mass	169.0658271
Topological Polar Surface Area	12 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	122
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

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