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88364-42-5 | 1H-Inden-1-one, 2-[(dimethylamino)methyl]octahydro-3-methyl-
CAS No: 88364-42-5 Catalog No: AG004GBI MDL No:
Product Description
Catalog Number:
AG004GBI
Chemical Name:
1H-Inden-1-one, 2-[(dimethylamino)methyl]octahydro-3-methyl-
CAS Number:
88364-42-5
Molecular Formula:
C13H23NO
Molecular Weight:
209.3278
IUPAC Name:
2-[(dimethylamino)methyl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
InChI:
InChI=1S/C13H23NO/c1-9-10-6-4-5-7-11(10)13(15)12(9)8-14(2)3/h9-12H,4-8H2,1-3H3
InChI Key:
DLGGFHKJRFJUNJ-UHFFFAOYSA-N
SMILES:
CN(CC1C(C)C2C(C1=O)CCCC2)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.333g/mol
Monoisotopic Mass:
209.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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