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88951-98-8 | Benzoic acid, 3-methoxy-, 2-acetyl-4-methylphenyl ester
CAS No: 88951-98-8 Catalog No: AG00486X MDL No:
Product Description
Catalog Number:
AG00486X
Chemical Name:
Benzoic acid, 3-methoxy-, 2-acetyl-4-methylphenyl ester
CAS Number:
88951-98-8
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
IUPAC Name:
(2-acetyl-4-methylphenyl) 3-methoxybenzoate
InChI:
InChI=1S/C17H16O4/c1-11-7-8-16(15(9-11)12(2)18)21-17(19)13-5-4-6-14(10-13)20-3/h4-10H,1-3H3
InChI Key:
VTDPNHQRKQFCTB-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)Oc1ccc(cc1C(=O)C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.311g/mol
Monoisotopic Mass:
284.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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