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88580-03-4 | Benzoic acid, 3-(1-oxopropyl)-2-(phenylmethoxy)-, methyl ester
CAS No: 88580-03-4 Catalog No: AG004BRB MDL No:
Product Description
Catalog Number:
AG004BRB
Chemical Name:
Benzoic acid, 3-(1-oxopropyl)-2-(phenylmethoxy)-, methyl ester
CAS Number:
88580-03-4
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
methyl 2-phenylmethoxy-3-propanoylbenzoate
InChI:
InChI=1S/C18H18O4/c1-3-16(19)14-10-7-11-15(18(20)21-2)17(14)22-12-13-8-5-4-6-9-13/h4-11H,3,12H2,1-2H3
InChI Key:
LAIZJPDUKNHQJG-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cccc(c1OCc1ccccc1)C(=O)OC
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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