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3-(2,6-DIMETHYL-4-OXO-1,4-DIHYDROPYRIMIDIN-5-YL)PROPANOICACID

3-(2,6-DIMETHYL-4-OXO-1,4-DIHYDROPYRIMIDIN-5-YL)PROPANOICACID structure

CAS No:
802589-80-6
Formula:
C9H12N2O3
Chemical Name:
3-(2,6-DIMETHYL-4-OXO-1,4-DIHYDROPYRIMIDIN-5-YL)PROPANOICACID
Synonyms:
3-(2,6-DIMETHYL-4-OXO-1,4-DIHYDROPYRIMIDIN-5-YL)PROPANOIC ACID;3-(2,6-Dimethyl-4-oxo-1,4-dihydro-pyrimidin-5-yl)-propionic acid;5-Pyrimidinepropanoic acid, 1,6-dihydro-2,4-dimethyl-6-oxo-

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3-(2,6-DIMETHYL-4-OXO-1,4-DIHYDROPYRIMIDIN-5-YL)PROPANOICACID Basic Attributes

Molecular Weight：

196.2

Exact Mass：

196.08479225

Characteristics

Density：

1.32±0.1 g/cm3

Boiling Point：

371.5±44.0 °C(Predicted)

PKA：

4.46±0.10

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:196.20
XLogP3:-0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:196.08479225
Monoisotopic Mass:196.08479225
Topological Polar Surface Area:78.8
Heavy Atom Count:14
Complexity:342
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(2,6-DIMETHYL-4-OXO-1,4-DIHYDROPYRIMIDIN-5-YL)PROPANOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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