2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid
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![2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ff539a0fbab94141ae148d0b118c0021.png "2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid")
2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid
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CAS No:
879565-31-8
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Formula:
C6H7N3O4S
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Chemical Name:
2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid
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Synonyms:
879565-31-8;[(3-Methyl-4-nitro-1H-pyrazol-5-yl)thio]-acetic acid;[(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]acetic acid;2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid;2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetic acid;2-((3-Methyl-4-nitro-1H-pyrazol-5-yl)thio)acetic acid;2-(3-methyl-4-nitropyrazol-5-ylthio)acetic acid;(5-Methyl-4-nitro-2H-pyrazol-3-ylsulfanyl)-acetic acid;ALBB-009937;ZINC5800363;1489AF;MFCD00464488;SBB009402;STK315325;AKOS000306288;AKOS015922261;CCG-113210;MCULE-6756401342;LS-03351;EU-0046673;R3223;ST45137206;EN300-83662;SR-01000503461;SR-01000503461-1;F0918-3633;(5-Methyl-4-nitro-2 H -pyrazol-3-ylsulfanyl)-acetic acid;(5-methyl-4-nitro-2 h-pyrazol-3-ylsulfanyl)-acetic acid;[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetic acid;acetic acid, [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]-
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CAS No:
2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid Basic Attributes
217.21 g/mol
217.01572689 g/mol
Computed Properties
Molecular Weight:217.21
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:217.01572689
Monoisotopic Mass:217.01572689
Topological Polar Surface Area:137
Heavy Atom Count:14
Complexity:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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