document.write('
72730-39-3
2-MERCAPTO-1,3-BENZOXAZOLE-5-CARBOXYLIC ACID METHYL ESTER
Name
2-MERCAPTO-1,3-BENZOXAZOLE-5-CARBOXYLIC ACID METHYL ESTER
Formula
C9 H7 N O3 S
MolWeight
209.224
1Identification
【Name】
2-MERCAPTO-1,3-BENZOXAZOLE-5-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD11656391
【English Synonyms】
【Formula】
C9 H7 N O3 S
【MolWeight】
209.224
【Inchi】
InChI=1S/C9H7NO3S/c1-12-8(11)5-2-3-7-6(4-5)10-9(14)13-7/h2-4H,1H3,(H,10,14)
【InChIKey】
InChIKey=JMJGRFGKJKXVPP-UHFFFAOYSA-N
【SMILES】
COC(=O)c1ccc2c(c1)[nH]c(=S)o2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-MERCAPTO-1,3-BENZOXAZOLE-5-CARBOXYLIC ACID METHYL ESTER.cml
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