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177991-09-2 | Benzoic acid, 3-methyl-5-(phenylmethoxy)-
CAS No: 177991-09-2 Catalog No: AG0025OY MDL No:
Product Description
Catalog Number:
AG0025OY
Chemical Name:
Benzoic acid, 3-methyl-5-(phenylmethoxy)-
CAS Number:
177991-09-2
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
3-methyl-5-phenylmethoxybenzoic acid
InChI:
InChI=1S/C15H14O3/c1-11-7-13(15(16)17)9-14(8-11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
InChI Key:
PAHJQWRTENXZHF-UHFFFAOYSA-N
SMILES:
Cc1cc(OCc2ccccc2)cc(c1)C(=O)O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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