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2,3-Epoxybutanol

CAT: 0572-TRC-E589060-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E589060-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
872-38-8
Synonyms
3-Methyl-2-oxiranemethanol; (3-Methyloxiran-2-yl)methanol; 2,3-Epoxy-1-butanol; 3-Methyloxiranemethanol; NSC 34457;
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Smiles
CC1OC1CO
Molecular Formula
C4H8O2
Molecular Weight
88.11
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

(3-Methyloxiran-2-yl)methanol
CAS Number872-38-8
PubChem CID234485
IUPAC Name(3-methyloxiran-2-yl)methanol
Molecular FormulaC4H8O2
Molecular Weight88.11
XLogP-0.3
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity53
SMILES
CC1C(O1)CO
InChI
InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3
InChIKey
QQHZNUPEBVRUFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Methyloxiran-2-yl)methanol
CAS: 872-38-8
CID: 234485
Formula: C4H8O2
MW: 88.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight88.11
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass88.052429494
Monoisotopic Mass88.052429494
Topological Polar Surface Area32.8 Ų
Heavy Atom Count6
Formal Charge0
Complexity53.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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