3-(2'5'-DIMETHOXYBENZOYL)PROPIONICACI&
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3-(2'5'-DIMETHOXYBENZOYL)PROPIONICACI&
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CAS No:
1084-74-8
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Formula:
C12H14O5
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Chemical Name:
3-(2'5'-DIMETHOXYBENZOYL)PROPIONICACI&
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Synonyms:
4-(2,5-Dimethoxy-phenyl)-4-oxo-butyric acid;4-(2,5-dimethoxyphenyl)-4-oxobutanoic acid;3-(2",5"-Dimethoxybenzoyl)propionic acid;4-(2,5-dimethoxyphenyl)-4-oxobutyric acid;NSC103070;3-(2,5-dimethoxybenzoyl)propionic acid;NCIOpen2_007295;Oprea1_452966;SCHEMBL5055127;CTK7A5637
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CAS No:
3-(2'5'-DIMETHOXYBENZOYL)PROPIONICACI& Basic Attributes
238.23700
238.08400
103070
DTXSID50295560
2918990090
Characteristics
72.83000
1.75130
1.211g/cm3
102-106ºC(lit.)
429.1ºC at 760mmHg
166ºC
1.527
3.98E-08mmHg at 25°C
Safety Information
NONH for all modes of transport
R38
S36
Xi
P264, P280, P302+P352, P321, P332+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P321, P332+P313, and P362|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:238.24
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:238.08412354
Monoisotopic Mass:238.08412354
Topological Polar Surface Area:72.8
Heavy Atom Count:17
Complexity:276
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3-(2'5'-DIMETHOXYBENZOYL)PROPIONICACI&
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