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5466-40-0 | 1-(Furan-2-yl)heptan-1-one
CAS No: 5466-40-0 Catalog No: AG003CUJ MDL No:MFCD00053131
Product Description
Catalog Number:
AG003CUJ
Chemical Name:
1-(Furan-2-yl)heptan-1-one
CAS Number:
5466-40-0
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
MDL Number:
MFCD00053131
IUPAC Name:
1-(furan-2-yl)heptan-1-one
InChI:
InChI=1S/C11H16O2/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-5,7H2,1H3
InChI Key:
BTNRWSUWLFMXEL-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)c1ccco1
NSC Number:
27363
Properties
Complexity:
154
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:
6
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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