4-(4-HYDROXY-6-METHYL-PYRIMIDIN-2-YLAMINO)-BENZOICACID
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4-(4-HYDROXY-6-METHYL-PYRIMIDIN-2-YLAMINO)-BENZOICACID
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CAS No:
99989-32-9
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Formula:
C12H11N3O3
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Chemical Name:
4-(4-HYDROXY-6-METHYL-PYRIMIDIN-2-YLAMINO)-BENZOICACID
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Synonyms:
4-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoic acid;4-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)amino]benzoic acid;Benzoic acid, 4-[(1,6-dihydro-4-methyl-6-oxo-2-pyrimidinyl)amino]-;4-[(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)amino]benzoic acid
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CAS No:
4-(4-HYDROXY-6-METHYL-PYRIMIDIN-2-YLAMINO)-BENZOICACID Basic Attributes
245.23
245.08004122
DTXSID20360653
2933599090
Characteristics
95.34000
2.00540
1.41±0.1 g/cm3
307-308 °C (decomp)
442.2±47.0 °C(Predicted)
4.25±0.10
Computed Properties
Molecular Weight:245.23
XLogP3:0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:245.08004122
Monoisotopic Mass:245.08004122
Topological Polar Surface Area:90.8
Heavy Atom Count:18
Complexity:420
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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