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(2S)-2-Methoxy-1-propanol

CAT: 0572-TRC-M219653-1GSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M219653-1GSize:1 mg
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CAS Number
116422-39-0
Synonyms
(2S)-2-Methoxy-1-propanol
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Purity
>95% (GC)
Smiles
CO[C@@H](C)CO
Molecular Formula
C4 H10 O2
Molecular Weight
90.121
InChI
InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1
Additionnal Information
IUPAC name: (2S)-2-methoxypropan-1-ol
Shipping Conditions
Ice Packs

Chemical Information

2-Methoxy-1-propanol, (2S)-

See also: 2-Methoxy-1-propanol (annotation moved to).

CAS Number116422-39-0
PubChem CID642402
IUPAC Name(2S)-2-methoxypropan-1-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
C[C@@H](CO)OC
InChI
InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1
InChIKey
YTTFFPATQICAQN-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-1-propanol, (2S)-
CAS: 116422-39-0
CID: 642402
Formula: C4H10O2
MW: 90.12
Interactive 3D Structure
Loading 3D structure...
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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