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2-Methoxycinnamaldehyde

CAT: 0926-FM71230-02Size: 0.1 KgDry Ice: NoHazardous: No
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CAT#:0926-FM71230-02Size:0.1 Kg
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CAS Number
1504-74-1
Synonyms
2-Propenyl-3- (2-methoxyphenol)
MDL Number
MFCD00007001
Smiles
COC1=CC=CC=C1/C=C/C=O
Molecular Formula
C10H10O2
Molecular Weight
162.19 g/mol
Controlled
No

Chemical Information

O-Methoxycinnamaldehyde, (E)-

Cassiastearoptene is a member of cinnamaldehydes.

CAS Number1504-74-1
PubChem CID641298
IUPAC Name(E)-3-(2-methoxyphenyl)prop-2-enal
Molecular FormulaC10H10O2
Molecular Weight162.18
XLogP1.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity163
SMILES
COC1=CC=CC=C1/C=C/C=O
InChI
InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+
InChIKey
KKVZAVRSVHUSPL-GQCTYLIASA-N
Chemical Structure
2D Structure
2D structure of O-Methoxycinnamaldehyde, (E)-
CAS: 1504-74-1
CID: 641298
Formula: C10H10O2
MW: 162.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.18
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass162.068079557
Monoisotopic Mass162.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity163
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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