Undecanoic acid,11-(hexylthio)-(CAS No. 5455-21-0) CAS NO.5455-21-0

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Undecanoic acid,11-(hexylthio)-
5455-21-0
98

Quick Details

ProName: Undecanoic acid,11-(hexylthio)-(CAS No...
CasNo: 5455-21-0
Molecular Formula: C17H34 O2 S
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 10 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

【Name】
Undecanoic acid,11-(hexylthio)-
【Iupac name】
11-hexylsulfanylundecanoic acid
【CAS Registry number】
5455-21-0
【Synonyms】
NSC 23327
【Molecular Formula】
C17H34 O2 S (Products with the same molecular formula)
【Molecular Weight】
302.5157
【Inchi】
InChI=1/C17H34O2S/c1-2-3-4-12-15-20-16-13-10-8-6-5-7-9-11-14-17(18)19/h2-16H2,1H3,(H,18,19)
【Canonical SMILES】
CCCCCCSCCCCCCCCCCC(=O)O
Chemical and Physical Properties
【Density】
0.952g/cm3
【Boiling Point】
429.7°C at 760 mmHg
【Refractive Index】
1.48
【Flash Point】
213.7°C
【Computed Properties】
Molecular Weight:302.51566 [g/mol]
Molecular Formula:C17H34O2S
XLogP3-AA:6.5
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:16
Exact Mass:302.227951
MonoIsotopic Mass:302.227951
Topological Polar Surface Area:62.6
Heavy Atom Count:20
Formal Charge:0
Complexity:207
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

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