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

Ethyl 3-methyl-2H-1,4-benzoxazine-2-carboxylate

CAS No.:
1951441-06-7
Catalog Number:
AG00I38F
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00I38F
Chemical Name:
Ethyl 3-methyl-2H-1,4-benzoxazine-2-carboxylate
CAS Number:
1951441-06-7
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD29059782
IUPAC Name:
ethyl 3-methyl-2H-1,4-benzoxazine-2-carboxylate
InChI:
InChI=1S/C12H13NO3/c1-3-15-12(14)11-8(2)13-9-6-4-5-7-10(9)16-11/h4-7,11H,3H2,1-2H3
InChI Key:
ZMXWOKDTEWBXDI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1Oc2ccccc2N=C1C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties