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20365-00-8 | Benzenepropanoic acid, α-benzoyl-4-methoxy-β-oxo-, ethyl ester
CAS No: 20365-00-8 Catalog No: AG00292L MDL No:
Product Description
Catalog Number:
AG00292L
Chemical Name:
Benzenepropanoic acid, α-benzoyl-4-methoxy-β-oxo-, ethyl ester
CAS Number:
20365-00-8
Molecular Formula:
C19H18O5
Molecular Weight:
326.3432
IUPAC Name:
ethyl 2-benzoyl-3-(4-methoxyphenyl)-3-oxopropanoate
InChI:
InChI=1S/C19H18O5/c1-3-24-19(22)16(17(20)13-7-5-4-6-8-13)18(21)14-9-11-15(23-2)12-10-14/h4-12,16H,3H2,1-2H3
InChI Key:
AXPVZEAVBHTNIB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)c1ccccc1)C(=O)c1ccc(cc1)OC
NSC Number:
25441
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.348g/mol
Monoisotopic Mass:
326.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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