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Home > Aldehydes > 123391-66-2
123391-66-2 | 2-Furancarboxaldehyde, 5-[[[(phenylamino)carbonyl]oxy]methyl]-
CAS No: 123391-66-2 Catalog No: AG000KHL MDL No:
Product Description
Catalog Number:
AG000KHL
Chemical Name:
2-Furancarboxaldehyde, 5-[[[(phenylamino)carbonyl]oxy]methyl]-
CAS Number:
123391-66-2
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
IUPAC Name:
(5-formylfuran-2-yl)methyl N-phenylcarbamate
InChI:
InChI=1S/C13H11NO4/c15-8-11-6-7-12(18-11)9-17-13(16)14-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,16)
InChI Key:
HACKHUKWNRZWQJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)COC(=O)Nc1ccccc1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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