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88952-23-2 | Benzoic acid, 4-methyl-, 2-acetyl-4,6-dimethylphenyl ester
CAS No: 88952-23-2 Catalog No: AG004785 MDL No:
Product Description
Catalog Number:
AG004785
Chemical Name:
Benzoic acid, 4-methyl-, 2-acetyl-4,6-dimethylphenyl ester
CAS Number:
88952-23-2
Molecular Formula:
C18H18O3
Molecular Weight:
282.3337
IUPAC Name:
(2-acetyl-4,6-dimethylphenyl) 4-methylbenzoate
InChI:
InChI=1S/C18H18O3/c1-11-5-7-15(8-6-11)18(20)21-17-13(3)9-12(2)10-16(17)14(4)19/h5-10H,1-4H3
InChI Key:
LPVJIUXGVUYOKO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)Oc1c(C)cc(cc1C(=O)C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.339g/mol
Monoisotopic Mass:
282.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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