3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid
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3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid
structure -
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CAS No:
99469-99-5
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Formula:
C13H16O5
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Chemical Name:
3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid
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Synonyms:
Benzeneacetic acid,3-ethoxy-4-(ethoxycarbonyl)-;3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid;[3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid;Ethyl 4-carboxymethyl-2-ethoxybenzoate;2-[3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid;219921-54-7
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CAS No:
3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid Basic Attributes
252.26
252.26
427-630-2
GG6C71LIOD
DTXSID80244066
2918990090
Characteristics
72.8
1.9
white to pale yellow solid
1.2±0.1 g/cm3
78-80°C
414.8°C at 760 mmHg
155.9±19.4 °C
1.527
Refrigerator
Safety Information
NONH for all modes of transport
41
26-39
Xi
P280-P305 + P351 + P338
H318
|Danger|H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|H318 (97.92%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|Aggregated GHS information provided by 48 companies from 2 notifications to the ECHA C&L Inventory.|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|Aggregated GHS information provided by 5 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:252.26
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:252.09977361
Monoisotopic Mass:252.09977361
Topological Polar Surface Area:72.8
Heavy Atom Count:18
Complexity:289
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid
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