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α-Cyclopropyl-2,5-dimethoxybenzenemethanol

CAT: 0127-OR1080819-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1080819-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1181593-03-2
MDL Number
MFCD11936266
Purity
97%
Smiles
C (O) (c1c (OC) ccc (OC) c1) C1CC1

Chemical Information

alpha-Cyclopropyl-2,5-dimethoxybenZenemethanol
CAS Number1181593-03-2
PubChem CID61099542
IUPAC Namecyclopropyl-(2,5-dimethoxyphenyl)methanol
Molecular FormulaC12H16O3
Molecular Weight208.25
XLogP1.8
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity203
SMILES
COC1=CC(=C(C=C1)OC)C(C2CC2)O
InChI
InChI=1S/C12H16O3/c1-14-9-5-6-11(15-2)10(7-9)12(13)8-3-4-8/h5-8,12-13H,3-4H2,1-2H3
InChIKey
POGKGBITMFXFHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Cyclopropyl-2,5-dimethoxybenZenemethanol
CAS: 1181593-03-2
CID: 61099542
Formula: C12H16O3
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass208.109944368
Monoisotopic Mass208.109944368
Topological Polar Surface Area38.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes