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90052-91-8 | 2-Furancarboxaldehyde, 3-methyl-5-(2-methylpropyl)-
CAS No: 90052-91-8 Catalog No: AG006KKD MDL No:
Product Description
Catalog Number:
AG006KKD
Chemical Name:
2-Furancarboxaldehyde, 3-methyl-5-(2-methylpropyl)-
CAS Number:
90052-91-8
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
3-methyl-5-(2-methylpropyl)furan-2-carbaldehyde
InChI:
InChI=1S/C10H14O2/c1-7(2)4-9-5-8(3)10(6-11)12-9/h5-7H,4H2,1-3H3
InChI Key:
QMLNYDORMWTLNR-UHFFFAOYSA-N
SMILES:
O=Cc1oc(cc1C)CC(C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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