Home Carboxys methyl 4H,6H,7H-pyrano[3,4-d][1,2]oxazole-3-carboxylate

methyl 4H,6H,7H-pyrano[3,4-d][1,2]oxazole-3-carboxylate

CAS No.:
1707374-70-6
Catalog Number:
AG01B6KL
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
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Product Description
Catalog Number:
AG01B6KL
Chemical Name:
methyl 4H,6H,7H-pyrano[3,4-d][1,2]oxazole-3-carboxylate
CAS Number:
1707374-70-6
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD27579293
IUPAC Name:
methyl 6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxylate
InChI:
InChI=1S/C8H9NO4/c1-11-8(10)7-5-4-12-3-2-6(5)13-9-7/h2-4H2,1H3
InChI Key:
MZKMOPKJHUTVFX-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc2c1COCC2
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties