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917950-84-6 | 1-Propanone, 1-(1H-imidazol-1-yl)-2-(6-methoxy-2-naphthalenyl)-, (2S)-
CAS No: 917950-84-6 Catalog No: AG006MNN MDL No:
Product Description
Catalog Number:
AG006MNN
Chemical Name:
1-Propanone, 1-(1H-imidazol-1-yl)-2-(6-methoxy-2-naphthalenyl)-, (2S)-
CAS Number:
917950-84-6
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
IUPAC Name:
(2S)-1-imidazol-1-yl-2-(6-methoxynaphthalen-2-yl)propan-1-one
InChI:
InChI=1S/C17H16N2O2/c1-12(17(20)19-8-7-18-11-19)13-3-4-15-10-16(21-2)6-5-14(15)9-13/h3-12H,1-2H3/t12-/m0/s1
InChI Key:
ZRCZMABYWVGAND-LBPRGKRZSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)n1cncc1)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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