2-METHYL HYDROGEN PYRIDINE-2,5-DICARBOXYLATE
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2-METHYL HYDROGEN PYRIDINE-2,5-DICARBOXYLATE
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CAS No:
17874-76-9
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Formula:
C8H7NO4
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Chemical Name:
2-METHYL HYDROGEN PYRIDINE-2,5-DICARBOXYLATE
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Synonyms:
2-METHYL HYDROGEN PYRIDINE-2,5-DICARBOXYLATE;6-(METHOXYCARBONYL)NICOTINIC ACID;5-Carboxy-2-(methoxycarbonyl)pyridine, 6-(Methoxycarbonyl)pyridine-3-carboxylic acid;6-(Methoxycarbonyl)pyridine-3-carboxylic acid;(Methoxycarbonyl)pyridine-3-carboxylic acid
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CAS No:
2-METHYL HYDROGEN PYRIDINE-2,5-DICARBOXYLATE Basic Attributes
181.15
181.037506
DTXSID00342194
2933399090
Characteristics
76.5
0.35
1.4±0.1 g/cm3
383.8±27.0 °C at 760 mmHg
185.9±23.7 °C
1.560
1.41E-06mmHg at 25°C
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302+H312+H332
|Warning|H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:181.15
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:181.03750770
Monoisotopic Mass:181.03750770
Topological Polar Surface Area:76.5
Heavy Atom Count:13
Complexity:216
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-METHYL HYDROGEN PYRIDINE-2,5-DICARBOXYLATE
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