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88952-26-5 | Benzoic acid, 4-methoxy-, 2-acetyl-4,5-dimethylphenyl ester
CAS No: 88952-26-5 Catalog No: AG004783 MDL No:
Product Description
Catalog Number:
AG004783
Chemical Name:
Benzoic acid, 4-methoxy-, 2-acetyl-4,5-dimethylphenyl ester
CAS Number:
88952-26-5
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
(2-acetyl-4,5-dimethylphenyl) 4-methoxybenzoate
InChI:
InChI=1S/C18H18O4/c1-11-9-16(13(3)19)17(10-12(11)2)22-18(20)14-5-7-15(21-4)8-6-14/h5-10H,1-4H3
InChI Key:
CKKMREBHPCYGSP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Oc1cc(C)c(cc1C(=O)C)C
Properties
Complexity:
398
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:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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