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126861-09-4 | Furan, 4-methyl-2-(2-methylpropyl)-
CAS No: 126861-09-4 Catalog No: AG000TE9 MDL No:
Product Description
Catalog Number:
AG000TE9
Chemical Name:
Furan, 4-methyl-2-(2-methylpropyl)-
CAS Number:
126861-09-4
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
4-methyl-2-(2-methylpropyl)furan
InChI:
InChI=1S/C9H14O/c1-7(2)4-9-5-8(3)6-10-9/h5-7H,4H2,1-3H3
InChI Key:
OQMOSIGMGVLRHL-UHFFFAOYSA-N
SMILES:
CC(Cc1occ(c1)C)C
Properties
Complexity:
98.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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