Home Other Building Blocks 3-(4-methylfuran-3-yl)propan-1-ol

3-(4-methylfuran-3-yl)propan-1-ol

CAS No.:
118668-58-9
Catalog Number:
AG01BBJU
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
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Product Description
Catalog Number:
AG01BBJU
Chemical Name:
3-(4-methylfuran-3-yl)propan-1-ol
CAS Number:
118668-58-9
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD21339081
IUPAC Name:
3-(4-methylfuran-3-yl)propan-1-ol
InChI:
InChI=1S/C8H12O2/c1-7-5-10-6-8(7)3-2-4-9/h5-6,9H,2-4H2,1H3
InChI Key:
XSZRMRZQGPOROJ-UHFFFAOYSA-N
SMILES:
Cc1cocc1CCCO
Properties
Complexity:
93.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
3-(4-Methylfuran-3-yl)propan-1-ol: a white-spotted Stinkbug ( Eysarcoris ventralis ) repellent produced by an endophyte isolated from green foxtail. Journal of agricultural and food chemistry 20100310
Properties