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89721-00-6 | 2H-1,4-Benzothiazine-2-acetic acid, 3,4-dihydro-3-oxo-2-phenyl-
CAS No: 89721-00-6 Catalog No: AG0042B4 MDL No:
Product Description
Catalog Number:
AG0042B4
Chemical Name:
2H-1,4-Benzothiazine-2-acetic acid, 3,4-dihydro-3-oxo-2-phenyl-
CAS Number:
89721-00-6
Molecular Formula:
C16H13NO3S
Molecular Weight:
299.3443
IUPAC Name:
2-(3-oxo-2-phenyl-4H-1,4-benzothiazin-2-yl)acetic acid
InChI:
InChI=1S/C16H13NO3S/c18-14(19)10-16(11-6-2-1-3-7-11)15(20)17-12-8-4-5-9-13(12)21-16/h1-9H,10H2,(H,17,20)(H,18,19)
InChI Key:
OFUHJYOXOWLFNM-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(Sc2ccccc2NC1=O)c1ccccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.344g/mol
Monoisotopic Mass:
299.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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