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2-Methoxy-1-phenylethan-1-ol

CAT: 0926-DAA58784-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-DAA58784-01Size:50 mg
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CAS Number
3587-84-6
MDL Number
MFCD14691054
Smiles
COCC (C1=CC=CC=C1) O
Molecular Formula
C9H12O2
Molecular Weight
152.19 g/mol
Controlled
No

Chemical Information

2-Methoxy-1-phenylethan-1-ol

Ethanol, 2-methoxyphenyl- is a member of benzenes.

CAS Number3587-84-6
PubChem CID572294
IUPAC Name2-methoxy-1-phenylethanol
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP0.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity97
SMILES
COCC(C1=CC=CC=C1)O
InChI
InChI=1S/C9H12O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKey
DGDIVLMPQVYVGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-1-phenylethan-1-ol
CAS: 3587-84-6
CID: 572294
Formula: C9H12O2
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass152.083729621
Monoisotopic Mass152.083729621
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity97.7
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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