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200195-15-9 | 2H-1,4-Benzoxazine-6-carboxaldehyde, 3,4-dihydro-3-oxo-
CAS No: 200195-15-9 Catalog No: AG002CLP MDL No:MFCD07369979
Product Description
Catalog Number:
AG002CLP
Chemical Name:
2H-1,4-Benzoxazine-6-carboxaldehyde, 3,4-dihydro-3-oxo-
CAS Number:
200195-15-9
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD07369979
IUPAC Name:
3-oxo-4H-1,4-benzoxazine-6-carbaldehyde
InChI:
InChI=1S/C9H7NO3/c11-4-6-1-2-8-7(3-6)10-9(12)5-13-8/h1-4H,5H2,(H,10,12)
InChI Key:
VHKABBARGFUYOF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)NC(=O)CO2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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