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1219694-49-1 | 4H-Pyrazolo[5,1-c][1,4]oxazine-3-carboxylic acid, 6,7-dihydro-
CAS No: 1219694-49-1 Catalog No: AG0016H1 MDL No:MFCD20660829
Product Description
Catalog Number:
AG0016H1
Chemical Name:
4H-Pyrazolo[5,1-c][1,4]oxazine-3-carboxylic acid, 6,7-dihydro-
CAS Number:
1219694-49-1
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD20660829
IUPAC Name:
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxylic acid
InChI:
InChI=1S/C7H8N2O3/c10-7(11)5-3-8-9-1-2-12-4-6(5)9/h3H,1-2,4H2,(H,10,11)
InChI Key:
XITXYOZZKMCGFO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn2c1COCC2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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