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2155852-36-9 | 2H,4H,5H,7H-pyrano[3,4-c]pyrazole hydrochloride
CAS No: 2155852-36-9 Catalog No: AG01FKYP MDL No:
Product Description
Catalog Number:
AG01FKYP
Chemical Name:
2H,4H,5H,7H-pyrano[3,4-c]pyrazole hydrochloride
CAS Number:
2155852-36-9
Molecular Formula:
C6H9ClN2O
Molecular Weight:
160.6015
IUPAC Name:
1,4,5,7-tetrahydropyrano[3,4-c]pyrazole;hydrochloride
InChI:
InChI=1S/C6H8N2O.ClH/c1-2-9-4-6-5(1)3-7-8-6;/h3H,1-2,4H2,(H,7,8);1H
InChI Key:
WJKQXRRDEWEZPU-UHFFFAOYSA-N
SMILES:
C1OCc2c(C1)c[nH]n2.Cl
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.601g/mol
Monoisotopic Mass:
160.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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