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139675-86-8 | Benzoic acid, 4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-, methyl ester
CAS No: 139675-86-8 Catalog No: AG001BHY MDL No:
Product Description
Catalog Number:
AG001BHY
Chemical Name:
Benzoic acid, 4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-, methyl ester
CAS Number:
139675-86-8
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
methyl 4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]benzoate
InChI:
InChI=1S/C18H19NO3/c1-19(2)16-10-8-14(9-11-16)17(20)12-13-4-6-15(7-5-13)18(21)22-3/h4-11H,12H2,1-3H3
InChI Key:
PMEMAEKSECTILW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)CC(=O)c1ccc(cc1)N(C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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