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138287-25-9 | Ethanone, 1-(2,3-diethoxyphenyl)-2-methoxy-2-phenyl-, (S)- (9CI)
CAS No: 138287-25-9 Catalog No: AG0018GB MDL No:
Product Description
Catalog Number:
AG0018GB
Chemical Name:
Ethanone, 1-(2,3-diethoxyphenyl)-2-methoxy-2-phenyl-, (S)- (9CI)
CAS Number:
138287-25-9
Molecular Formula:
C19H22O4
Molecular Weight:
314.3756
IUPAC Name:
(2S)-1-(2,3-diethoxyphenyl)-2-methoxy-2-phenylethanone
InChI:
InChI=1S/C19H22O4/c1-4-22-16-13-9-12-15(19(16)23-5-2)17(20)18(21-3)14-10-7-6-8-11-14/h6-13,18H,4-5H2,1-3H3/t18-/m0/s1
InChI Key:
TVRBKNGMHBXNTA-SFHVURJKSA-N
SMILES:
CCOc1c(OCC)cccc1C(=O)[C@H](c1ccccc1)OC
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
314.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.381g/mol
Monoisotopic Mass:
314.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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