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methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanoate

methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanoate structure

CAS No:
17547-89-6
Formula:
C12H13NO3S
Chemical Name:
methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanoate
Synonyms:
17547-89-6;methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)propanoate;methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanoate;MLS000046686;SMR000032697;NSC378580;ChemDiv3_013620;Oprea1_379567;cid_342284;CHEMBL1440760;BDBM49041;DTXSID90321594;HMS1511L02;HMS2157P15;HMS3320N18;MCULE-6130955545;NSC-378580;IDI1_029770;NCGC00050285-02;EU-0031505;AI-204/31682043;SR-01000146031;SR-01000146031-1;BRD-A58255507-001-01-4;methyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)propanoate;2-(3-keto-4H-1,4-benzothiazin-2-yl)propionic acid methyl ester;2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanoic acid methyl ester;2-(3-Oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl)-propionic acid methyl ester

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methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanoate Basic Attributes

Molecular Weight：

251.30 g/mol

Exact Mass：

251.06161445 g/mol

NSC Number：

378580

DSSTox ID：

DTXSID90321594

Characteristics

PSA：

80.7 Å²

Computed Properties

Molecular Weight:251.30
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:251.06161445
Monoisotopic Mass:251.06161445
Topological Polar Surface Area:80.7
Heavy Atom Count:17
Complexity:321
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanoate

Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

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