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304673-89-0 | Benzoic acid, 4-methoxy-, 3,5-dimethylphenyl ester
CAS No: 304673-89-0 Catalog No: AG00308B MDL No:
Product Description
Catalog Number:
AG00308B
Chemical Name:
Benzoic acid, 4-methoxy-, 3,5-dimethylphenyl ester
CAS Number:
304673-89-0
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
(3,5-dimethylphenyl) 4-methoxybenzoate
InChI:
InChI=1S/C16H16O3/c1-11-8-12(2)10-15(9-11)19-16(17)13-4-6-14(18-3)7-5-13/h4-10H,1-3H3
InChI Key:
LQPVMUVOUTZDSK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Oc1cc(C)cc(c1)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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