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99113-85-6 | 4-phenylfuran-2-carbaldehyde
CAS No: 99113-85-6 Catalog No: AG019WDK MDL No:MFCD14705571
Product Description
Catalog Number:
AG019WDK
Chemical Name:
4-phenylfuran-2-carbaldehyde
CAS Number:
99113-85-6
Molecular Formula:
C11H8O2
Molecular Weight:
172.1800
MDL Number:
MFCD14705571
IUPAC Name:
4-phenylfuran-2-carbaldehyde
InChI:
InChI=1S/C11H8O2/c12-7-11-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H
InChI Key:
VSADUYUTKZHMIM-UHFFFAOYSA-N
SMILES:
O=Cc1occ(c1)c1ccccc1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.183g/mol
Monoisotopic Mass:
172.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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