3-phenylpropyl 2-methylpentanoate 5448-39-5 CAS NO.5448-39-5

Min.Order: 1 Gram
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Product Details

Keywords

3-phenylpropyl 2-methylpentanoate
5448-39-5
98%

Quick Details

ProName: 3-phenylpropyl 2-methylpentanoate 544...
CasNo: 5448-39-5
Molecular Formula: C15H22O2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Grade: Industrial Grade

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Details

【Name】
3-phenylpropyl 2-methylpentanoate
【CAS Registry number】
5448-39-5
【Synonyms】
3-phenylpropyl 2-methylpentanoate
NSC17942
AC1Q66ZN
AC1L5F53
AR-1F5067
NSC-17942
【Molecular Formula】
C15H22O2 (Products with the same molecular formula)
【Molecular Weight】
234.334
【Inchi】
InChI=1/C15H22O2/c1-3-8-13(2)15(16)17-12-7-11-14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3
【Canonical SMILES】
CCCC(C)C(=O)OCCCC1=CC=CC=C1
【MOL File】
5448-39-5.mol
Chemical and Physical Properties
【Density】
0.969g/cm3
【Boiling Point】
324.8°C at 760 mmHg
【Refractive Index】
1.49
【Flash Point】
116.5°C
【Computed Properties】
Molecular Weight:234.33398 [g/mol]
Molecular Formula:C15H22O2
XLogP3-AA:4.4
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:8
Exact Mass:234.16198
MonoIsotopic Mass:234.16198
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Formal Charge:0
Complexity:207
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:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:1
Effective Rotor Count:8
Conformer Sampling RMSD:1
CID Conformer Count:115

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