22216-44-0
4-METHOXY-3-NITROBENZYLTHIOACETIC ACID
Name
4-METHOXY-3-NITROBENZYLTHIOACETIC ACID
Formula
C10 H11 N O5 S
MolWeight
257.265
1Identification
【Name】
4-METHOXY-3-NITROBENZYLTHIOACETIC ACID
【CAS】
【MDL】
MFCD09971670
【English Synonyms】
【Formula】
C10 H11 N O5 S
【MolWeight】
257.265
【Inchi】
InChI=1S/C10H11NO5S/c1-16-9-3-2-7(4-8(9)11(14)15)5-17-6-10(12)13/h2-4H,5-6H2,1H3,(H,12,13)
【InChIKey】
InChIKey=YKRCQUVMNDWKPL-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1[N+](=O)[O-])CSCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHOXY-3-NITROBENZYLTHIOACETIC ACID.cml
Quick Release
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