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97888-80-7 | 4-Benzyloxy-3,5-dimethylbenzoic acid
CAS No: 97888-80-7 Catalog No: AG003KT8 MDL No:MFCD00272572
Product Description
Catalog Number:
AG003KT8
Chemical Name:
4-Benzyloxy-3,5-dimethylbenzoic acid
CAS Number:
97888-80-7
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
MDL Number:
MFCD00272572
IUPAC Name:
3,5-dimethyl-4-phenylmethoxybenzoic acid
InChI:
InChI=1S/C16H16O3/c1-11-8-14(16(17)18)9-12(2)15(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18)
InChI Key:
JABUPJCJZZNUFK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c(c(c1)C)OCc1ccccc1
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:
1
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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