Basic information
- CAS
57245-68-8- Standard SMILES
O=C(O)C(=O)O.O=C1COc2ccccc2N1CC1CNCCO1- InChIKey
BCCRYAZRLOIXLK-UHFFFAOYSA-N- Molecular formula
- C15H18N2O7
- Average molar mass
- 338.31 g/mol
- Monoisotopic mass
- 338.11140092
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-morpholinylmethyl)-, ethanedioate (1:1)
- IUPAC
- 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid
Names & synonyms
4-(2-Morpholinylmethyl)-2H-1,4-benzoxazin-3(4H)-one ethanedioate (1:1)57245-68-82-(4H-2,3-Dihydro-1,4-benzoxazin-3-one-4-ylmethyl)morpholine hydrogen oxalate2H-1,4-Benzoxazin-3(4H)-one, 4-(2-morpholinylmethyl)-, ethanedioate (1:1)RefChem:267944DTXSID30972741Oxalic acid--4-[(morpholin-2-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one (1/1)
Database identifiers
- CAS
57245-68-8- PubChem CID
- 3044404
- DTXSID
DTXSID30972741
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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