58974-94-0
5-(2-HYDROXYPROPOXY)-4-OXO-8-PROPYL-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID SODIUM SALT
Name5-(2-HYDROXYPROPOXY)-4-OXO-8-PROPYL-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID SODIUM SALT
1Identification
【Name】
5-(2-HYDROXYPROPOXY)-4-OXO-8-PROPYL-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID SODIUM SALT
【CAS】
【MDL】
MFCD18974808
【English Synonyms】
【Formula】
C16 H17 O6 . Na
【MolWeight】
328.294
【Inchi】
InChI=1S/C16H18O6.Na/c1-3-4-10-5-6-12(21-8-9(2)17)14-11(18)7-13(16(19)20)22-15(10)14;/h5-7,9,17H,3-4,8H2,1-2H3,(H,19,20);/q;+1/p-1
【InChIKey】
InChIKey=QSTOKIKCZVNKGI-UHFFFAOYSA-M
【SMILES】
CCCc1ccc(c2c1oc(cc2=O)C(=O)[O-])OCC(C)O.[Na+]
【MOL File】
5-(2-HYDROXYPROPOXY)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(2-HYDROXYPROPOXY)-4-OXO-8-PROPYL-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID SODIUM SALT.cml