α-Cyclopropyl-2-ethoxybenzenemethanol

CAT: 0127-OR1082443-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1082443-01Size:250 mg

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CAS Number

1339347-97-5

MDL Number

MFCD17223686

Purity

95%

Smiles

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

Chemical Information

alpha-Cyclopropyl-2-ethoxybenZenemethanol

CAS Number	1339347-97-5
PubChem CID	62800568
IUPAC Name	cyclopropyl-(2-ethoxyphenyl)methanol
Molecular Formula	C12H16O2
Molecular Weight	192.25
XLogP	2.2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	177

SMILES

CCOC1=CC=CC=C1C(C2CC2)O

InChI

InChI=1S/C12H16O2/c1-2-14-11-6-4-3-5-10(11)12(13)9-7-8-9/h3-6,9,12-13H,2,7-8H2,1H3

InChIKey

QTNVDDMWXNXOHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1339347-97-5

CID: 62800568

Formula: C12H16O2

MW: 192.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.25
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	192.115029749
Monoisotopic Mass	192.115029749
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	177
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
OR1082521-01	α-Cyclopropyl-3-ethoxybenzenemethanol
OR1084006-01	α-Ethenyl-2-ethoxybenzenemethanol
OR1081503-01	α-Butyl-3-ethoxybenzenemethanol
OR1084029-01	α-Ethenyl-3-ethoxybenzenemethanol
OR1082024-01	α-Cyclopropyl-2-dibenzofuranmethanol
OR1092263-01	α-Cyclopropyl-2-methoxybenzenemethanol
OR1096427-01	Cyclopropyl-2-dibenzofuranylmethanone
PC1025290	α-Cyclopropyl-2-fluorobenzenemethanol
OR1083224-01	α-Cyclopropyl-2-iodobenzenemethanol
OR1081994-01	α-Cyclopropyl-2-pyridineethanol

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