56649-48-0
(R)-(+)-1-(1-PHENYLETHYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID
Name(R)-(+)-1-(1-PHENYLETHYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
(R)-(+)-1-(1-PHENYLETHYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD08061423
【English Synonyms】
【Formula】
C12 H12 N2 O2
【MolWeight】
216.239
【Inchi】
InChI=1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16/h2-9H,1H3,(H,15,16)/t9-/m1/s1
【InChIKey】
InChIKey=RGYCCBLTSWHXIS-SECBINFHSA-N
【SMILES】
C[C@H](c1ccccc1)n2cncc2C(=O)O
【MOL File】
(R)-(+)-1-(1-PHENYLE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(R)-(+)-1-(1-PHENYLETHYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID.cml