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1173003-61-6 | 5H-Pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid, 6,7-dihydro-
CAS No: 1173003-61-6 Catalog No: AG000E2T MDL No:MFCD16547365
Product Description
Catalog Number:
AG000E2T
Chemical Name:
5H-Pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid, 6,7-dihydro-
CAS Number:
1173003-61-6
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD16547365
IUPAC Name:
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid
InChI:
InChI=1S/C7H8N2O3/c10-7(11)5-4-8-9-2-1-3-12-6(5)9/h4H,1-3H2,(H,10,11)
InChI Key:
LARVLEBTOMBFRH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn2c1OCCC2
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:
0.1
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