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306776-15-8 | 2-Heptanone, 4-[(4-methoxyphenyl)amino]-6-methyl-, (4R)-
CAS No: 306776-15-8 Catalog No: AG0030SK MDL No:
Product Description
Catalog Number:
AG0030SK
Chemical Name:
2-Heptanone, 4-[(4-methoxyphenyl)amino]-6-methyl-, (4R)-
CAS Number:
306776-15-8
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
IUPAC Name:
(4R)-4-(4-methoxyanilino)-6-methylheptan-2-one
InChI:
InChI=1S/C15H23NO2/c1-11(2)9-14(10-12(3)17)16-13-5-7-15(18-4)8-6-13/h5-8,11,14,16H,9-10H2,1-4H3/t14-/m1/s1
InChI Key:
JWBIOMXXKDROJC-CQSZACIVSA-N
SMILES:
COc1ccc(cc1)N[C@@H](CC(=O)C)CC(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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