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116412-95-4 | Methanone, (3,4-dimethoxyphenyl)[4-(1,1-dimethylethyl)phenyl]-
CAS No: 116412-95-4 Catalog No: AG000CG5 MDL No:
Product Description
Catalog Number:
AG000CG5
Chemical Name:
Methanone, (3,4-dimethoxyphenyl)[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
116412-95-4
Molecular Formula:
C19H22O3
Molecular Weight:
298.3762
IUPAC Name:
(4-tert-butylphenyl)-(3,4-dimethoxyphenyl)methanone
InChI:
InChI=1S/C19H22O3/c1-19(2,3)15-9-6-13(7-10-15)18(20)14-8-11-16(21-4)17(12-14)22-5/h6-12H,1-5H3
InChI Key:
JNELAVICYRMCTE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.157g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.382g/mol
Monoisotopic Mass:
298.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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