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1233243-54-3 | 1H-Indazole-3-carboxylic acid, 1-ethyl-4,5,6,7-tetrahydro-6,6-dimethyl-, ethyl ester
CAS No: 1233243-54-3 Catalog No: AG000KC1 MDL No:
Product Description
Catalog Number:
AG000KC1
Chemical Name:
1H-Indazole-3-carboxylic acid, 1-ethyl-4,5,6,7-tetrahydro-6,6-dimethyl-, ethyl ester
CAS Number:
1233243-54-3
Molecular Formula:
C14H22N2O2
Molecular Weight:
250.3367
IUPAC Name:
ethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate
InChI:
InChI=1S/C14H22N2O2/c1-5-16-11-9-14(3,4)8-7-10(11)12(15-16)13(17)18-6-2/h5-9H2,1-4H3
InChI Key:
QMZPTTLXOMMCHG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c2c1CCC(C2)(C)C)CC
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.342g/mol
Monoisotopic Mass:
250.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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