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5-Methoxyisatoic Anhydride

CAT: 0572-TRC-M263045-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M263045-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37795-77-0
Hazard Statement
No Data Available
Smiles
COc1ccc2NC(=O)OC(=O)c2c1
Molecular Formula
C9 H7 N O4
Molecular Weight
193.156
InChI
InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)8(11)14-9(12)10-7/h2-4H,1H3,(H,10,12)
Additionnal Information
IUPAC name: 6-methoxy-1H-3,1-benzoxazine-2,4-dione
Shipping Conditions
Room Temperature

Chemical Information

6-methoxy-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
CAS Number37795-77-0
PubChem CID294479
IUPAC Name6-methoxy-1H-3,1-benzoxazine-2,4-dione
Molecular FormulaC9H7NO4
Molecular Weight193.16
XLogP1
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity266
SMILES
COC1=CC2=C(C=C1)NC(=O)OC2=O
InChI
InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)8(11)14-9(12)10-7/h2-4H,1H3,(H,10,12)
InChIKey
JFAFNQOODJCVGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-methoxy-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
CAS: 37795-77-0
CID: 294479
Formula: C9H7NO4
MW: 193.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.16
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass193.03750770
Monoisotopic Mass193.03750770
Topological Polar Surface Area64.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity266
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

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Alternative Products

CatalogName
sc-2846515-Methoxyisatoic anhydride
OR400021-013-Methoxyisatoic anhydride
OR61001-016-Methoxyisatoic anhydride
OR400017-014-Methoxyisatoic anhydride
OR400490-015-Bromo-4-methoxyisatoic anhydride
EAA69299-015-Methylisatoic anhydride
436231-015-Chloroisatoic Anhydride
sc-2547685-Aminoisatoic anhydride
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