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197094-20-5 | 4H-Pyrazolo[1,5-a]azepin-4-one, 5,6,7,8-tetrahydro-
CAS No: 197094-20-5 Catalog No: AG002ALB MDL No:
Product Description
Catalog Number:
AG002ALB
Chemical Name:
4H-Pyrazolo[1,5-a]azepin-4-one, 5,6,7,8-tetrahydro-
CAS Number:
197094-20-5
Molecular Formula:
C8H10N2O
Molecular Weight:
150.1778
IUPAC Name:
5,6,7,8-tetrahydropyrazolo[1,5-a]azepin-4-one
InChI:
InChI=1S/C8H10N2O/c11-8-3-1-2-6-10-7(8)4-5-9-10/h4-5H,1-3,6H2
InChI Key:
YFZJCYRJIJGWDX-UHFFFAOYSA-N
SMILES:
O=C1CCCCn2c1ccn2
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.181g/mol
Monoisotopic Mass:
150.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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