3-[2-[(4-Methylphenyl)thio]-5-nitrophenyl]-2-propenoic acid
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![3-[2-[(4-Methylphenyl)thio]-5-nitrophenyl]-2-propenoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220805/d4407f9488d143d98dc452432ed2535f.png "3-[2-[(4-Methylphenyl)thio]-5-nitrophenyl]-2-propenoic acid")
3-[2-[(4-Methylphenyl)thio]-5-nitrophenyl]-2-propenoic acid
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CAS No:
175278-45-2
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Formula:
C16H13NO4S
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Chemical Name:
3-[2-[(4-Methylphenyl)thio]-5-nitrophenyl]-2-propenoic acid
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Synonyms:
2-Propenoic acid,3-[2-[(4-methylphenyl)thio]-5-nitrophenyl]-;3-[2-[(4-Methylphenyl)thio]-5-nitrophenyl]-2-propenoic acid
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CAS No:
3-[2-[(4-Methylphenyl)thio]-5-nitrophenyl]-2-propenoic acid Basic Attributes
315.34400
315.34
DTXSID40384290
Characteristics
108.42000
4.67540
1.38g/cm3
194ºC
509.7ºC at 760mmHg
262.1ºC
1.673
3.26E-11mmHg at 25°C
Computed Properties
Molecular Weight:315.3
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:315.05652907
Monoisotopic Mass:315.05652907
Topological Polar Surface Area:108
Heavy Atom Count:22
Complexity:426
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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