285142-14-5
1,4-CYCLOHEXADIENE-1-CARBOXYLIC ACID, 4-(1-METHYLETHYL)-
Name1,4-CYCLOHEXADIENE-1-CARBOXYLIC ACID, 4-(1-METHYLETHYL)-
1Identification
【Name】
1,4-CYCLOHEXADIENE-1-CARBOXYLIC ACID, 4-(1-METHYLETHYL)-
【CAS】
【MDL】
MFCD18806156
【English Synonyms】
【Formula】
C10 H14 O2
【MolWeight】
166.219
【Inchi】
InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3,6-7H,4-5H2,1-2H3,(H,11,12)
【InChIKey】
InChIKey=NMKACEPSUGRCPW-UHFFFAOYSA-N
【SMILES】
CC(C)C1=CCC(=CC1)C(=O)O
【MOL File】
1,4-CYCLOHEXADIENE-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-CYCLOHEXADIENE-1-CARBOXYLIC ACID, 4-(1-METHYLETHYL)-.cml