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1233244-55-7 | 1H-Indazole-3-carboxylic acid, 1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-6,6-dimethyl-, ethyl ester
CAS No: 1233244-55-7 Catalog No: AG000KCR MDL No:
Product Description
Catalog Number:
AG000KCR
Chemical Name:
1H-Indazole-3-carboxylic acid, 1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-6,6-dimethyl-, ethyl ester
CAS Number:
1233244-55-7
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
IUPAC Name:
ethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate
InChI:
InChI=1S/C16H24N2O2/c1-4-20-15(19)14-12-7-8-16(2,3)9-13(12)18(17-14)10-11-5-6-11/h11H,4-10H2,1-3H3
InChI Key:
ZFQPZKYDQHKNBW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c2c1CCC(C2)(C)C)CC1CC1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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