899710-23-7
2-(3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL)BUTANOIC ACID
Name2-(3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL)BUTANOIC ACID
1Identification
【Name】
2-(3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL)BUTANOIC ACID
【CAS】
【MDL】
MFCD03830315
【English Synonyms】
【Formula】
C12 H13 N O4
【MolWeight】
235.238
【Inchi】
InChI=1S/C12H13NO4/c1-2-8(12(15)16)13-9-5-3-4-6-10(9)17-7-11(13)14/h3-6,8H,2,7H2,1H3,(H,15,16)
【InChIKey】
InChIKey=NKHFPPQOFJMSST-UHFFFAOYSA-N
【SMILES】
CCC(C(=O)O)N1c2ccccc2OCC1=O
【MOL File】
2-(3-OXO-2,3-DIHYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL)BUTANOIC ACID.cml