4-Nonanol,2,3-dimethyl- 53398-71-3 CAS NO.53398-71-3

Min.Order: 1 Gram
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Product Details

Keywords

4-Nonanol,2,3-dimethyl-
53398-71-3
98%

Quick Details

ProName: 4-Nonanol,2,3-dimethyl- 53398-71-3
CasNo: 53398-71-3
Molecular Formula: C11H24 O
Appearance: White powder
Application: Organic Chemicals
DeliveryTime: As client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 10 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
4-Nonanol,2,3-dimethyl-
【Iupac name】
2,3-dimethylnonan-4-ol
【CAS Registry number】
53398-71-3
【Synonyms】
NSC 244891
【Molecular Formula】
C11H24 O (Products with the same molecular formula)
【Molecular Weight】
172.3077
【Inchi】
InChI=1/C11H24O/c1-5-6-7-8-11(12)10(4)9(2)3/h9-12H,5-8H2,1-4H3
【Canonical SMILES】
CCCCCC(C(C)C(C)C)O
Chemical and Physical Properties
【Density】
0.825g/cm3
【Boiling Point】
216.5°C at 760 mmHg
【Refractive Index】
1.434
【Flash Point】
89.3°C
【Computed Properties】
Molecular Weight:172.30766 [g/mol]
Molecular Formula:C11H24O
XLogP3-AA:4.1
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:6
Exact Mass:172.182715
MonoIsotopic Mass:172.182715
Topological Polar Surface Area:20.2
Heavy Atom Count:12
Formal Charge:0
Complexity:99.2
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:4
Effective Rotor Count:6
Conformer Sampling RMSD:0.6
CID Conformer Count:204

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