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169209-25-0 | Benzoic acid, 5-formyl-2-(phenylmethoxy)-
CAS No: 169209-25-0 Catalog No: AG001YL6 MDL No:MFCD03160749
Product Description
Catalog Number:
AG001YL6
Chemical Name:
Benzoic acid, 5-formyl-2-(phenylmethoxy)-
CAS Number:
169209-25-0
Molecular Formula:
C15H12O4
Molecular Weight:
256.2534
MDL Number:
MFCD03160749
IUPAC Name:
5-formyl-2-phenylmethoxybenzoic acid
InChI:
InChI=1S/C15H12O4/c16-9-12-6-7-14(13(8-12)15(17)18)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18)
InChI Key:
FTTVXHXKTPOQDV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C(=O)O)OCc1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.257g/mol
Monoisotopic Mass:
256.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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