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137376-71-7 | 1H-Inden-1-one, 2-[(dimethylamino)methyl]-5,6-diethoxy-2,3-dihydro-, hydrochloride (1:1)
CAS No: 137376-71-7 Catalog No: AG001375 MDL No:
Product Description
Catalog Number:
AG001375
Chemical Name:
1H-Inden-1-one, 2-[(dimethylamino)methyl]-5,6-diethoxy-2,3-dihydro-, hydrochloride (1:1)
CAS Number:
137376-71-7
Molecular Formula:
C16H24ClNO3
Molecular Weight:
313.8197
IUPAC Name:
2-[(dimethylamino)methyl]-5,6-diethoxy-2,3-dihydroinden-1-one;hydrochloride
InChI:
InChI=1S/C16H23NO3.ClH/c1-5-19-14-8-11-7-12(10-17(3)4)16(18)13(11)9-15(14)20-6-2;/h8-9,12H,5-7,10H2,1-4H3;1H
InChI Key:
AXYNONIJPOHFIM-UHFFFAOYSA-N
SMILES:
CCOc1cc2c(cc1OCC)CC(C2=O)CN(C)C.Cl
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.144g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.822g/mol
Monoisotopic Mass:
313.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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