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4-methoxybutan-2-ol

CAT: 0572-TRC-M266403-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M266403-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41223-27-2
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Smiles
COCCC(C)O
Molecular Formula
C5H12O2
Molecular Weight
104.15
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Methoxybutan-2-ol
CAS Number41223-27-2
PubChem CID12651695
IUPAC Name4-methoxybutan-2-ol
Molecular FormulaC5H12O2
Molecular Weight104.15
XLogP0.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity37
SMILES
CC(CCOC)O
InChI
InChI=1S/C5H12O2/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3
InChIKey
METPUBMTPUYMGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxybutan-2-ol
CAS: 41223-27-2
CID: 12651695
Formula: C5H12O2
MW: 104.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.15
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass104.083729621
Monoisotopic Mass104.083729621
Topological Polar Surface Area29.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity37.1
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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Alternative Products

CatalogName
FM176039-014-Methoxybutan-1-ol
HEA60948-012-Ethyl-2-methoxybutan-1-ol
sc-349580A4-methoxybutan-2-one
LZC96776-011,1,1-Trifluoro-3-methoxybutan-2-ol
IDA821001-Bromo-4-methoxybutan-2-one
sc-3495794-methoxybutan-1-amine
MDA30803-011-Chloro-4-methoxybutan-2-one
EXB60283-011- (3-Fluorophenyl) -4-methoxybutan-2-one
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