785-17-1
4-OXO-4-(5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)BUTANOIC ACID
Name4-OXO-4-(5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)BUTANOIC ACID
1Identification
【Name】
4-OXO-4-(5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)BUTANOIC ACID
【CAS】
【MDL】
MFCD06655207
【English Synonyms】
【Formula】
C14 H16 O3
【MolWeight】
232.277
【Inchi】
InChI=1S/C14H16O3/c15-13(7-8-14(16)17)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8H2,(H,16,17)
【InChIKey】
InChIKey=KTIOSKUXBNFTFX-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1C(=O)CCC(=O)O)CCCC2
【MOL File】
4-OXO-4-(5,6,7,8-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-OXO-4-(5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)BUTANOIC ACID.cml