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Home Carboxys Methyl 2-mercaptobenzo[d]oxazole-6-carboxylate

Methyl 2-mercaptobenzo[d]oxazole-6-carboxylate

CAS No.:
72752-81-9
Catalog Number:
AG0062BJ
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$32
- +
1g
95%
In Stock USA
United States
$62
- +
5g
95%
In Stock USA
United States
$307
- +
Product Description
Catalog Number:
AG0062BJ
Chemical Name:
Methyl 2-mercaptobenzo[d]oxazole-6-carboxylate
CAS Number:
72752-81-9
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD09261169
IUPAC Name:
methyl 2-sulfanylidene-3H-1,3-benzoxazole-6-carboxylate
InChI:
InChI=1S/C9H7NO3S/c1-12-8(11)5-2-3-6-7(4-5)13-9(14)10-6/h2-4H,1H3,(H,10,14)
InChI Key:
FMCZQIFKXIGAFL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)oc(n2)S
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties