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(2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester

CAT: 0572-TRC-H949245-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H949245-250MGSize:250 mg
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CAS Number
62592-80-7
Synonyms
(E)-5-Hydroxy-2-pentenoic Acid Methyl Ester
Hazard Statement
No Data Available
Smiles
COC(=O)\C=C\CCO
Molecular Formula
C6H10O3
Molecular Weight
130.14
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester
CAS Number62592-80-7
PubChem CID5968821
IUPAC Namemethyl (E)-5-hydroxypent-2-enoate
Molecular FormulaC6H10O3
Molecular Weight130.14
XLogP0.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity107
SMILES
COC(=O)/C=C/CCO
InChI
InChI=1S/C6H10O3/c1-9-6(8)4-2-3-5-7/h2,4,7H,3,5H2,1H3/b4-2+
InChIKey
AULQDMBDCMKXLS-DUXPYHPUSA-N
Chemical Structure
2D Structure
2D structure of (2E)-5-Hydroxy-2-pentenoic Acid Methyl Ester
CAS: 62592-80-7
CID: 5968821
Formula: C6H10O3
MW: 130.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.14
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass130.062994177
Monoisotopic Mass130.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity107
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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