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82722-57-4 | 1H-Inden-2-ol, 2,3-dihydro-1-[(2-hydroxyethyl)methylamino]-, trans-
CAS No: 82722-57-4 Catalog No: AG0050T3 MDL No:
Product Description
Catalog Number:
AG0050T3
Chemical Name:
1H-Inden-2-ol, 2,3-dihydro-1-[(2-hydroxyethyl)methylamino]-, trans-
CAS Number:
82722-57-4
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
(1R,2R)-1-[2-hydroxyethyl(methyl)amino]-2,3-dihydro-1H-inden-2-ol
InChI:
InChI=1S/C12H17NO2/c1-13(6-7-14)12-10-5-3-2-4-9(10)8-11(12)15/h2-5,11-12,14-15H,6-8H2,1H3/t11-,12-/m1/s1
InChI Key:
NINKXZPUNYTJMC-VXGBXAGGSA-N
SMILES:
OCCN([C@H]1[C@H](O)Cc2c1cccc2)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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