Home Other Building Blocks 1-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-4-one

1-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-4-one

CAS No.:
883997-72-6
Catalog Number:
AG01BTJV
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
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Product Description
Catalog Number:
AG01BTJV
Chemical Name:
1-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-4-one
CAS Number:
883997-72-6
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD21194481
IUPAC Name:
1-(2-hydroxyethyl)-6,7-dihydro-5H-indazol-4-one
InChI:
InChI=1S/C9H12N2O2/c12-5-4-11-8-2-1-3-9(13)7(8)6-10-11/h6,12H,1-5H2
InChI Key:
XOTQZXVSASCORE-UHFFFAOYSA-N
SMILES:
OCCn1ncc2c1CCCC2=O
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties