Home Carboxys 4-formyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid

4-formyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid

CAS No.:
1248718-39-9
Catalog Number:
AG01C4P9
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C4P9
Chemical Name:
4-formyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
CAS Number:
1248718-39-9
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
MDL Number:
MFCD14589565
IUPAC Name:
4-formyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
InChI:
InChI=1S/C10H9NO4/c12-6-11-5-9(10(13)14)15-8-4-2-1-3-7(8)11/h1-4,6,9H,5H2,(H,13,14)
InChI Key:
UQHXYYPINCVPKZ-UHFFFAOYSA-N
SMILES:
O=CN1CC(Oc2c1cccc2)C(=O)O
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties