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28664-92-8 | 2-Benzofurancarboxylic acid, 3-(phenoxymethyl)-
CAS No: 28664-92-8 Catalog No: AG002W0A MDL No:MFCD03986072
Product Description
Catalog Number:
AG002W0A
Chemical Name:
2-Benzofurancarboxylic acid, 3-(phenoxymethyl)-
CAS Number:
28664-92-8
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
MDL Number:
MFCD03986072
IUPAC Name:
3-(phenoxymethyl)-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C16H12O4/c17-16(18)15-13(10-19-11-6-2-1-3-7-11)12-8-4-5-9-14(12)20-15/h1-9H,10H2,(H,17,18)
InChI Key:
VJKTUIWQQYVRRB-UHFFFAOYSA-N
SMILES:
OC(=O)c1oc2c(c1COc1ccccc1)cccc2
EC Number:
249-139-0
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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