Home Carboxys methyl 2-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate

methyl 2-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate

CAS No.:
1506052-39-6
Catalog Number:
AG01EHUZ
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
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Product Description
Catalog Number:
AG01EHUZ
Chemical Name:
methyl 2-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
CAS Number:
1506052-39-6
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD26664583
IUPAC Name:
methyl 2-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
InChI:
InChI=1S/C11H13NO3/c1-7-6-12-9-4-3-8(11(13)14-2)5-10(9)15-7/h3-5,7,12H,6H2,1-2H3
InChI Key:
CCYALVDBKXRURC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)OC(CN2)C
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties