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1233243-55-4 | 1H-Indazole-3-carboxylic acid, 1-ethyl-4,5,6,7-tetrahydro-6,6-dimethyl-
CAS No: 1233243-55-4 Catalog No: AG000KC0 MDL No:
Product Description
Catalog Number:
AG000KC0
Chemical Name:
1H-Indazole-3-carboxylic acid, 1-ethyl-4,5,6,7-tetrahydro-6,6-dimethyl-
CAS Number:
1233243-55-4
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid
InChI:
InChI=1S/C12H18N2O2/c1-4-14-9-7-12(2,3)6-5-8(9)10(13-14)11(15)16/h4-7H2,1-3H3,(H,15,16)
InChI Key:
DBHBYKBXRWNWQD-UHFFFAOYSA-N
SMILES:
CCn1nc(c2c1CC(C)(C)CC2)C(=O)O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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