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159459-95-7 | Benzoic acid, 2,4-dimethyl-, phenyl ester
CAS No: 159459-95-7 Catalog No: AG001R3V MDL No:
Product Description
Catalog Number:
AG001R3V
Chemical Name:
Benzoic acid, 2,4-dimethyl-, phenyl ester
CAS Number:
159459-95-7
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
phenyl 2,4-dimethylbenzoate
InChI:
InChI=1S/C15H14O2/c1-11-8-9-14(12(2)10-11)15(16)17-13-6-4-3-5-7-13/h3-10H,1-2H3
InChI Key:
ZZIWBSYKPZGQEZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)C(=O)Oc1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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