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1309788-49-5 | 1H-Indazole, 4,5,6,7-tetrahydro-6,6-dimethyl-
CAS No: 1309788-49-5 Catalog No: AG000V6N MDL No:MFCD26407116
Product Description
Catalog Number:
AG000V6N
Chemical Name:
1H-Indazole, 4,5,6,7-tetrahydro-6,6-dimethyl-
CAS Number:
1309788-49-5
Molecular Formula:
C9H14N2
Molecular Weight:
150.2209
MDL Number:
MFCD26407116
IUPAC Name:
6,6-dimethyl-1,4,5,7-tetrahydroindazole
InChI:
InChI=1S/C9H14N2/c1-9(2)4-3-7-6-10-11-8(7)5-9/h6H,3-5H2,1-2H3,(H,10,11)
InChI Key:
XQGNCGWYJNMRTK-UHFFFAOYSA-N
SMILES:
CC1(C)CCc2c(C1)[nH]nc2
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.116g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.225g/mol
Monoisotopic Mass:
150.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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