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1-Methoxy-2-Propanol

CAT: 0127-OR1009510Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1009510Size:1 Each
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CAS Number
107-98-2
MDL Number
MFCD00004537
Purity
99%
Smiles
COCC(C)O

Chemical Information

1-Methoxy-2-propanol

1-methoxy-2-propanol appears as a colorless liquid. Flash point near 89 °F. Less dense than water. Contact irritates skin, eyes and mucous membranes. Prolonged exposure to vapors may cause coughing, shortness of breath, dizziness and intoxication. Vapors heavier than air. Used as a solvent and as an antifreeze agent.

CAS Number107-98-2
PubChem CID7900
IUPAC Name1-methoxypropan-2-ol
Molecular FormulaC4H10O2
Molecular Weight90.12
XLogP-0.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity28
SMILES
CC(COC)O
InChI
InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3
InChIKey
ARXJGSRGQADJSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methoxy-2-propanol
CAS: 107-98-2
CID: 7900
Formula: C4H10O2
MW: 90.12
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight90.12
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass90.068079557
Monoisotopic Mass90.068079557
Topological Polar Surface Area29.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity28.7
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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