5449-12-7
2-METHYL-3-PHENYL-2-OXIRANECARBOXYLIC ACID
Name2-METHYL-3-PHENYL-2-OXIRANECARBOXYLIC ACID
1Identification
【Name】
2-METHYL-3-PHENYL-2-OXIRANECARBOXYLIC ACID
【CAS】
【MDL】
MFCD20638791
【English Synonyms】
【Formula】
C10 H10 O3
【MolWeight】
178.186
【Inchi】
InChI=1S/C10H10O3/c1-10(9(11)12)8(13-10)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,12)
【InChIKey】
InChIKey=UPEAOFCHTFWNFG-UHFFFAOYSA-N
【SMILES】
CC1(C(O1)c2ccccc2)C(=O)O
【MOL File】
2-METHYL-3-PHENYL-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-3-PHENYL-2-OXIRANECARBOXYLIC ACID.cml