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115881-74-8 | 2H-1,3-Oxazine-4-carboxylic acid, 5-formyl-3,6-dihydro-
CAS No: 115881-74-8 Catalog No: AG000H1K MDL No:
Product Description
Catalog Number:
AG000H1K
Chemical Name:
2H-1,3-Oxazine-4-carboxylic acid, 5-formyl-3,6-dihydro-
CAS Number:
115881-74-8
Molecular Formula:
C6H7NO4
Molecular Weight:
157.1241
IUPAC Name:
5-formyl-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
InChI:
InChI=1S/C6H7NO4/c8-1-4-2-11-3-7-5(4)6(9)10/h1,7H,2-3H2,(H,9,10)
InChI Key:
GNNDTESKUQVZEY-UHFFFAOYSA-N
SMILES:
O=CC1=C(NCOC1)C(=O)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.125g/mol
Monoisotopic Mass:
157.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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