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4-(2,3-Epoxypropoxy)benzaldehyde

CAT: 0572-TRC-E589630-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E589630-100MGSize:100 mg
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CAS Number
14697-49-5
Synonyms
p-(2,3-Epoxypropoxy)-benzaldehyde; 4-(2,3-Epoxypropoxy)benzaldehydep-(Glycidyloxy)benzaldehyde
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O=Cc1ccc(OCC2CO2)cc1
Molecular Formula
C10 H10 O3
Molecular Weight
178.185
InChI
InChI=1S/C10H10O3/c11-5-8-1-3-9(4-2-8)12-6-10-7-13-10/h1-5,10H,6-7H2
Additionnal Information
IUPAC name: 4-(oxiran-2-ylmethoxy)benzaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-(2,3-Epoxypropoxy)benzaldehyde
CAS Number14697-49-5
PubChem CID2736334
IUPAC Name4-(oxiran-2-ylmethoxy)benzaldehyde
Molecular FormulaC10H10O3
Molecular Weight178.18
XLogP1
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity173
SMILES
C1C(O1)COC2=CC=C(C=C2)C=O
InChI
InChI=1S/C10H10O3/c11-5-8-1-3-9(4-2-8)12-6-10-7-13-10/h1-5,10H,6-7H2
InChIKey
VAKABUBSGYOQIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,3-Epoxypropoxy)benzaldehyde
CAS: 14697-49-5
CID: 2736334
Formula: C10H10O3
MW: 178.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.18
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass178.062994177
Monoisotopic Mass178.062994177
Topological Polar Surface Area38.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity173
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
OR1249-014- (2,3-Epoxypropoxy) benzaldehyde
274983-014- (2,3-Epoxypropoxy) carbazole
sc-2166684- (2,3-Epoxypropoxy) phenylacetamide
MBS6106342-014-(2,3-Epoxypropoxy)carbazole
FB151937-014,4'-Bis (2,3-epoxypropoxy) biphenyl
MBS6016923-013'-Acetyl-4'-(2,3-epoxypropoxy)butyranilide
FE22766-01(S) - (+) -4- (2,3-Epoxypropoxy) carbazole
FE22765-01(R) - (-) -4- (2,3-Epoxypropoxy) carbazole
E3432-12S- (+) -4- (2,3-Epoxypropoxy) carbazole
428706-014- (2,3-Epoxypropoxy-d5) carbazole

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