193151-96-1
4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)BENZOIC ACID
Name4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)BENZOIC ACID
1Identification
【Name】
4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD06802339
【English Synonyms】
【Formula】
C15 H12 O4
【MolWeight】
256.256
【Inchi】
InChI=1S/C15H12O4/c16-15(17)11-3-1-10(2-4-11)12-5-6-13-14(9-12)19-8-7-18-13/h1-6,9H,7-8H2,(H,16,17)
【InChIKey】
InChIKey=WHINZSFQRUFDIG-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2ccc3c(c2)OCCO3)C(=O)O
【MOL File】
4-(2,3-DIHYDRO-1,4-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)BENZOIC ACID.cml