1-Heptanone,1-(2-furanyl)-(CAS No. 5466-40-0) CAS NO.5466-40-0

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Purity:: 98%

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Keywords

1-Heptanone,1-(2-furanyl)-
5466-40-0
98%

Quick Details

ProName: 1-Heptanone,1-(2-furanyl)-(CAS No. 546...
CasNo: 5466-40-0
Molecular Formula: C11H16O2
Appearance: LIQUID
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 98%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

identification and related records
【name】
1-heptanone,1-(2-furanyl)-
【iupac name】
1-(furan-2-yl)heptan-1-one
【cas registry number】
5466-40-0
【synonyms】
1-heptanone,1-(2-furyl)- (6ci)
2-heptanoylfuran
nsc 27363
【molecular formula】
c11h16o2 (products with the same molecular formula)
【molecular weight】
180.24
【inchi】
inchi=1/c11h16o2/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9h,2-5,7h2,1h3
【canonical smiles】
ccccccc(=o)c1=cc=co1
【mol file】
5466-40-0.mol
chemical and physical properties
【density】
0.967g/cm3
【boiling point】
261.7°cat760mmhg
【refractive index】
1.467
【flash point】
114.8°c
【computed properties】
molecular weight:180.24354 [g/mol]
molecular formula:c11h16o2
xlogp3:3
h-bond donor:0
h-bond acceptor:2
rotatable bond count:6
tautomer count:2
exact mass:180.11503
monoisotopic mass:180.11503
topological polar surface area:30.2
heavy atom count:13
formal charge:0
complexity:154
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:2
feature 3d hydrophobe count:2
feature 3d ring count:1
effective rotor count:6
conformer sampling rmsd:0.6
cid conformer count:416