3-diethylaminopropan-1-one; (Z)-4-hydroxypent-3-en-2-one; palladium(CAS No. 55640-54-5) CAS NO.55640-54-5

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Product Details

Keywords

3-diethylaminopropan-1-one; (Z)-4-hydroxypent-3-en-2-one; palladium
55640-54-5
98%

Quick Details

ProName: 3-diethylaminopropan-1-one; (Z)-4-hydr...
CasNo: 55640-54-5
Molecular Formula: C12H22NO3Pd
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 Kilogram

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Details

【Name】
3-diethylaminopropan-1-one; (Z)-4-hydroxypent-3-en-2-one; palladium
【Iupac name】
3-(diethylamino)propan-1-one; (Z)-4-hydroxypent-3-en-2-one; palladium
【CAS Registry number】
55640-54-5
【Synonyms】
55640-54-5
NSC 253542
【Molecular Formula】
C12H22NO3Pd (Products with the same molecular formula)
【Molecular Weight】
334.72798
【Inchi】
InChI=1S/C7H14NO.C5H8O2.Pd/c1-3-8(4-2)6-5-7-9;1-4(6)3-5(2)7;/h3-6H2,1-2H3;3,6H,1-2H3;/q-1;;/b;4-3-;
【InChIKey】
PDAVUTHHVJBCRD-LWFKIUJUSA-N
【Canonical SMILES】
CCN(CC)CC[C-]=O.CC(=CC(=O)C)O.[Pd]
【Isomers smiles】
CCN(CC)CC[C-]=O.C/C(=C/C(=O)C)/O.[Pd]
Chemical and Physical Properties
【Boiling Point】
163.7°C at 760 mmHg
【Flash Point】
42°C
【Computed Properties】
Molecular Weight:334.72798 [g/mol]
Molecular Formula:C12H22NO3Pd-
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:5
Tautomer Count:16
Exact Mass:334.063452
MonoIsotopic Mass:334.063452
Topological Polar Surface Area:57.6
Heavy Atom Count:17
Formal Charge:-1
Complexity:226
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:3

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