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Home > Aldehydes > 141598-95-0
141598-95-0 | 2-Furancarboxaldehyde, 5-butoxy-
CAS No: 141598-95-0 Catalog No: AG001GOC MDL No:MFCD21800716
Product Description
Catalog Number:
AG001GOC
Chemical Name:
2-Furancarboxaldehyde, 5-butoxy-
CAS Number:
141598-95-0
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD21800716
IUPAC Name:
5-butoxyfuran-2-carbaldehyde
InChI:
InChI=1S/C9H12O3/c1-2-3-6-11-9-5-4-8(7-10)12-9/h4-5,7H,2-3,6H2,1H3
InChI Key:
MKOPEOKHXIVNMO-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(o1)C=O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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