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Home > Aldehydes > 828923-09-7
828923-09-7 | 2-Furancarboxaldehyde, 5-(1-hydroxy-2-oxo-2-phenylethyl)-
CAS No: 828923-09-7 Catalog No: AG004RX7 MDL No:
Product Description
Catalog Number:
AG004RX7
Chemical Name:
2-Furancarboxaldehyde, 5-(1-hydroxy-2-oxo-2-phenylethyl)-
CAS Number:
828923-09-7
Molecular Formula:
C13H10O4
Molecular Weight:
230.2161
IUPAC Name:
5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-carbaldehyde
InChI:
InChI=1S/C13H10O4/c14-8-10-6-7-11(17-10)13(16)12(15)9-4-2-1-3-5-9/h1-8,13,16H
InChI Key:
WFQRSNNMBFRRQY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)C(C(=O)c1ccccc1)O
Properties
Complexity:
283
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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