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1- (3-Methylphenoxy) -2-propanol

CAT: 0024-sc-486407Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-486407Size:5 g
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CAS Number
4317-62-8

Chemical Information

1-(3-Methylphenoxy)-2-propanol
CAS Number4317-62-8
PubChem CID12384822
IUPAC Name1-(3-methylphenoxy)propan-2-ol
Molecular FormulaC10H14O2
Molecular Weight166.22
XLogP1.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity125
SMILES
CC1=CC(=CC=C1)OCC(C)O
InChI
InChI=1S/C10H14O2/c1-8-4-3-5-10(6-8)12-7-9(2)11/h3-6,9,11H,7H2,1-2H3
InChIKey
DKTVQFUMIUPSGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Methylphenoxy)-2-propanol
CAS: 4317-62-8
CID: 12384822
Formula: C10H14O2
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass166.099379685
Monoisotopic Mass166.099379685
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity125
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

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