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Salcaprozate Sodium Impurity 19

CAT: 1299-RM-S261719-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S261719-01Size:10 mg
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CAS Number
2037-95-8
Synonyms
2H-benzo[e][1,3]oxazine-2,4 (3H) -dione
Molecular Formula
C8H5NO3
Molecular Weight
163.13
Target Alternative Name
Salcaprozate
Product Name Synonym
2H-benzo[e][1,3]oxazine-2,4 (3H) -dione

Chemical Information

2H-1,3-Benzoxazine-2,4(3H)-dione

Carsalam is a benzoxazine.

CAS Number2037-95-8
PubChem CID16258
IUPAC Name1,3-benzoxazine-2,4-dione
Molecular FormulaC8H5NO3
Molecular Weight163.13
XLogP1
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity226
SMILES
C1=CC=C2C(=C1)C(=O)NC(=O)O2
InChI
InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
InChIKey
OAYRYNVEFFWSHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2H-1,3-Benzoxazine-2,4(3H)-dione
CAS: 2037-95-8
CID: 16258
Formula: C8H5NO3
MW: 163.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.13
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass163.026943022
Monoisotopic Mass163.026943022
Topological Polar Surface Area55.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity226
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes