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113516-90-8 | Benzeneacetic acid, 4-(5-formyl-2-furanyl)-
CAS No: 113516-90-8 Catalog No: AG0008UV MDL No:
Product Description
Catalog Number:
AG0008UV
Chemical Name:
Benzeneacetic acid, 4-(5-formyl-2-furanyl)-
CAS Number:
113516-90-8
Molecular Formula:
C13H10O4
Molecular Weight:
230.2161
IUPAC Name:
2-[4-(5-formylfuran-2-yl)phenyl]acetic acid
InChI:
InChI=1S/C13H10O4/c14-8-11-5-6-12(17-11)10-3-1-9(2-4-10)7-13(15)16/h1-6,8H,7H2,(H,15,16)
InChI Key:
QBLONCHSNNVLKL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)c1ccc(cc1)CC(=O)O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.219g/mol
Monoisotopic Mass:
230.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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