157542-03-5
Butanedioic acid, 2-(2-methylpropyl)-, 4-(1,1-dimethylethyl) ester, (2S)-
NameButanedioic acid, 2-(2-methylpropyl)-, 4-(1,1-dimethylethyl) ester, (2S)-
1Identification
【Name】
Butanedioic acid, 2-(2-methylpropyl)-, 4-(1,1-dimethylethyl) ester, (2S)-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C12H21O4
【MolWeight】
229.2927
【Inchi】
InChI=1S/C12H22O4/c1-8(2)6-9(11(14)15)7-10(13)16-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,15)/p-1/t9-/m0/s1
【InChIKey】
InChIKey=NPIMKSLXCPUXPD-VIFPVBQESA-M
【SMILES】
CC(C[C@H](C(=O)[O-])CC(=O)OC(C)(C)C)C
【MOL File】
Butanedioic acid, 2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
Butanedioic acid, 2-(2-methylpropyl)-, 4-(1,1-dimethylethyl) ester, (2S)-.cml