Heptane,3-(dibutoxymethyl)-(CAS No. 5460-40-2)

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1 Gram	Negotiable

1 Gram

Negotiable

Min.Order :1 Gram
Purity: 99%
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Heptane,3-(dibutoxymethyl)- 5460-40-2 98%

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Appearance:Solid
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Details:

【Name】
Heptane,3-(dibutoxymethyl)-
【Iupac name】
3-(dibutoxymethyl)heptane
【CAS Registry number】
5460-40-2
【Synonyms】
Hexanal,2-ethyl-, dibutyl acetal (8CI)
NSC 21543
【Molecular Formula】
C16H34 O2 (Products with the same molecular formula)
【Molecular Weight】
258.44
【Inchi】
InChI=1/C16H34O2/c1-5-9-12-15(8-4)16(17-13-10-6-2)18-14-11-7-3/h15-16H,5-14H2,1-4H3
【Canonical SMILES】
CCCCC(CC)C(OCCCC)OCCCC
Chemical and Physical Properties
【Density】
0.844g/cm3
【Boiling Point】
244.4°C at 760 mmHg
【Refractive Index】
1.433
【Flash Point】
47.5°C
【Computed Properties】
Molecular Weight:258.43996 [g/mol]
Molecular Formula:C16H34O2
XLogP3-AA:5.7
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:13
Exact Mass:258.25588
MonoIsotopic Mass:258.25588
Topological Polar Surface Area:18.5
Heavy Atom Count:18
Formal Charge:0
Complexity:149
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:5
Effective Rotor Count:13
Conformer Sampling RMSD:1
CID Conformer Count:216

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