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(2E)-Pentene-1,5-diol

CAT: 0572-TRC-E230315-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E230315-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25073-26-1
Hazard Statement
No Data Available
Purity
>95% (GC)
Smiles
OCC\C=C\CO
Molecular Formula
C5 H10 O2
Molecular Weight
102.132
InChI
InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h1-2,6-7H,3-5H2/b2-1+
Additionnal Information
IUPAC name: (E)-pent-2-ene-1,5-diol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(2E)-pent-2-ene-1,5-diol
CAS Number25073-26-1
PubChem CID11182580
IUPAC Name(E)-pent-2-ene-1,5-diol
Molecular FormulaC5H10O2
Molecular Weight102.13
XLogP-0.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity50
SMILES
C(CO)/C=C/CO
InChI
InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h1-2,6-7H,3-5H2/b2-1+
InChIKey
YWZHEUFCDPRCAD-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of (2E)-pent-2-ene-1,5-diol
CAS: 25073-26-1
CID: 11182580
Formula: C5H10O2
MW: 102.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.13
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass102.068079557
Monoisotopic Mass102.068079557
Topological Polar Surface Area40.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity50
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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