Cas no 55354-87-5 (acetic acid; $l^{1}-ruthenane)
acetic acid; $l^{1}-ruthenane structure
Product Name:acetic acid; $l^{1}-ruthenane
CAS No:55354-87-5
MF:C56H49O2P3Ru
MW:947.978357076645
CID:943806
PubChem ID:435931
Update Time:2025-04-19
acetic acid; $l^{1}-ruthenane Chemical and Physical Properties
Names and Identifiers
-
- acetic acid,ruthenium monohydride,triphenylphosphanium
- [RuH(OCOMe)(PPh3)3]
- AC1L4HUO
- acetic acid
- cis-Dichlorobis(2,2'-bipyrazyl)ruthenium(II)
- dichlororuthenium
- Ru(bipyrazine)2Cl2
- Ru(H)(OAc)(PPh3)3
- RuH(CH3CO2)(PPh3)3
- ruthenium(2,2'-bipyrazine)2Cl2
- 55354-87-5
- Acetatohydrotris(triphenylphosphine)ruthenium
- acetic acid; $l^{1}-ruthenane
-
- Inchi： 1S/3C18H15P.C2H4O2.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2(3)4;/h3*1-15H;1H3,(H,3,4);
- InChI Key： PJXQPCMKCCWIPP-UHFFFAOYSA-N
- SMILES： [Ru].P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.OC(C)=O
Computed Properties
- Exact Mass: 951.22200
- Monoisotopic Mass: 949.206707g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 62
- Rotatable Bond Count: 9
- Complexity: 844
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 67.07000
- LogP: 9.65760
acetic acid; $l^{1}-ruthenane Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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