α-Cyclopropyl-2-methoxybenzenemethanol

CAT: 0127-OR1092263-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1092263-01Size:250 mg

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CAS Number

400613-89-0

MDL Number

MFCD11934799

Purity

95%

Smiles

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

Chemical Information

(Cyclopropyl) (2-methoxyphenyl)methanol

CAS Number	400613-89-0
PubChem CID	22382435
IUPAC Name	cyclopropyl-(2-methoxyphenyl)methanol
Molecular Formula	C11H14O2
Molecular Weight	178.23
XLogP	1.8
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	165

SMILES

COC1=CC=CC=C1C(C2CC2)O

InChI

InChI=1S/C11H14O2/c1-13-10-5-3-2-4-9(10)11(12)8-6-7-8/h2-5,8,11-12H,6-7H2,1H3

InChIKey

OOINFLCGCGHFCK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 400613-89-0

CID: 22382435

Formula: C11H14O2

MW: 178.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.23
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	165
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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OR1081521-01	2-Chloro-α-cyclopropyl-4-methoxybenzenemethanol
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PC1014168-01	α-Cyclopropyl-3-fluoro-5-methoxybenzenemethanol
PC1009456-01	α-Cyclopropyl-3-fluoro-4-methoxybenzenemethanol

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