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4609-10-3

4609-10-3 Structure

4609-10-3 Structure
IdentificationBack Directory
[Name]

5-(4-methoxyphenyl)-5-oxopentanoic acid
[CAS]

4609-10-3
[Synonyms]

NSC 105618
OTAVA-BB 1043540
UKRORGSYN-BB BBV-213302
4-p-Anisoylbutyric acid
4-(4-Methoxybenzoyl)butyric acid
5-keto-5-(4-methoxyphenyl)valeric acid
5-(4-methoxyphenyl)-5-oxopentanoic acid
[Molecular Formula]

C12H14O4
[MDL Number]

MFCD00021789
[MOL File]

4609-10-3.mol
[Molecular Weight]

222.24
Chemical PropertiesBack Directory
[Melting point ]

137 °C
[Boiling point ]

426.7±25.0 °C(Predicted)
[density ]

1.175±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.61±0.10(Predicted)
[Appearance]

Off-white to yellow Solid
[InChI]

InChI=1S/C12H14O4/c1-16-10-7-5-9(6-8-10)11(13)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)
[InChIKey]

UAMMMFTXGWKQLG-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCCC(=O)C1=CC=C(OC)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
Spectrum DetailBack Directory
[Spectrum Detail]

5-(4-methoxyphenyl)-5-oxopentanoic acid(4609-10-3)1HNMR
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