766556-62-1
4-(2-OXO-1,3-OXAZINAN-3-YL)BENZOIC ACID
Name4-(2-OXO-1,3-OXAZINAN-3-YL)BENZOIC ACID
1Identification
【Name】
4-(2-OXO-1,3-OXAZINAN-3-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD09998724
【English Synonyms】
【Formula】
C11 H11 N O4
【MolWeight】
221.211
【Inchi】
InChI=1S/C11H11NO4/c13-10(14)8-2-4-9(5-3-8)12-6-1-7-16-11(12)15/h2-5H,1,6-7H2,(H,13,14)
【InChIKey】
InChIKey=IXFLJRWKXYVANE-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)O)N2CCCOC2=O
【MOL File】
4-(2-OXO-1,3-OXAZINA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-OXO-1,3-OXAZINAN-3-YL)BENZOIC ACID.cml