α-Cyclopropyl-2-methylbenzenemethanol

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CAS Number

400613-95-8

MDL Number

MFCD12153721

Smiles

C (O) (C1CC1) c1c (C) cccc1

Chemical Information

Cyclopropyl (2-methylphenyl)methanol

CAS Number	400613-95-8
PubChem CID	22382416
IUPAC Name	cyclopropyl-(2-methylphenyl)methanol
Molecular Formula	C11H14O
Molecular Weight	162.23
XLogP	2.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	151

SMILES

CC1=CC=CC=C1C(C2CC2)O

InChI

InChI=1S/C11H14O/c1-8-4-2-3-5-10(8)11(12)9-6-7-9/h2-5,9,11-12H,6-7H2,1H3

InChIKey

KNIQSIAZIIYPCG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 400613-95-8

CID: 22382416

Formula: C11H14O

MW: 162.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.23
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	162.104465066
Monoisotopic Mass	162.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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