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1520061-97-5 | 5-tert-butyl-2-ethylfuran-3-carbaldehyde
CAS No: 1520061-97-5 Catalog No: AG01C79C MDL No:MFCD31435572
Product Description
Catalog Number:
AG01C79C
Chemical Name:
5-tert-butyl-2-ethylfuran-3-carbaldehyde
CAS Number:
1520061-97-5
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
MDL Number:
MFCD31435572
IUPAC Name:
5-tert-butyl-2-ethylfuran-3-carbaldehyde
InChI:
InChI=1S/C11H16O2/c1-5-9-8(7-12)6-10(13-9)11(2,3)4/h6-7H,5H2,1-4H3
InChI Key:
QKZHOYFVRROPBO-UHFFFAOYSA-N
SMILES:
CCc1oc(cc1C=O)C(C)(C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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