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87452-96-8 | Furan, 3-(3-methyl-2-butenyl)-
CAS No: 87452-96-8 Catalog No: AG004FTZ MDL No:
Product Description
Catalog Number:
AG004FTZ
Chemical Name:
Furan, 3-(3-methyl-2-butenyl)-
CAS Number:
87452-96-8
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
3-(3-methylbut-2-enyl)furan
InChI:
InChI=1S/C9H12O/c1-8(2)3-4-9-5-6-10-7-9/h3,5-7H,4H2,1-2H3
InChI Key:
KSKHEFFOGCBHEZ-UHFFFAOYSA-N
SMILES:
CC(=CCc1cocc1)C
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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