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Methyl benzo[d]oxazole-4-carboxylate

CAS No.:
128156-54-7
Catalog Number:
AG000XUO
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
Pack Size
Purity
Availability
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Quantity
  
1g
≥95%
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United States
$144
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Product Description
Catalog Number:
AG000XUO
Chemical Name:
Methyl benzo[d]oxazole-4-carboxylate
CAS Number:
128156-54-7
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD11110250
IUPAC Name:
methyl 1,3-benzoxazole-4-carboxylate
InChI:
InChI=1S/C9H7NO3/c1-12-9(11)6-3-2-4-7-8(6)10-5-13-7/h2-5H,1H3
InChI Key:
XYHIHNFBMYROIE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1nco2
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties