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263277-12-9 | Benzoic acid, 3-hydroxy-4-(phenylmethoxy)-, phenylmethyl ester
CAS No: 263277-12-9 Catalog No: AG002SQY MDL No:
Product Description
Catalog Number:
AG002SQY
Chemical Name:
Benzoic acid, 3-hydroxy-4-(phenylmethoxy)-, phenylmethyl ester
CAS Number:
263277-12-9
Molecular Formula:
C21H18O4
Molecular Weight:
334.3652
IUPAC Name:
benzyl 3-hydroxy-4-phenylmethoxybenzoate
InChI:
InChI=1S/C21H18O4/c22-19-13-18(21(23)25-15-17-9-5-2-6-10-17)11-12-20(19)24-14-16-7-3-1-4-8-16/h1-13,22H,14-15H2
InChI Key:
VJEWLMHAPKBHFM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)O)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.371g/mol
Monoisotopic Mass:
334.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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