Home Carboxys methyl 5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate

methyl 5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate

CAS No.:
1803592-33-7
Catalog Number:
AG01BDZJ
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
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Product Description
Catalog Number:
AG01BDZJ
Chemical Name:
methyl 5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate
CAS Number:
1803592-33-7
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD28063747
IUPAC Name:
methyl 5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate
InChI:
InChI=1S/C10H13NO3/c1-6-3-4-8-7(5-6)9(11-14-8)10(12)13-2/h6H,3-5H2,1-2H3
InChI Key:
FXMGWAZBCBGPRR-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc2c1CC(C)CC2
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties