Cas no 22112-56-7 (1,3-Butadienyl)
1,3-Butadienyl structure
Product Name:1,3-Butadienyl
CAS No:22112-56-7
MF:C4H3
MW:51.0666210651398
CID:238751
Update Time:2023-08-03
1,3-Butadienyl Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Butatrienyl
- butadienyl
- 1,3-butadienyl
- but-1-en-1,1-diyl
- buta-1,3-dien-1-yl
- buta-1,3-dien-1,3-diyl
- Butatrienyl radical
- 1-Butene-3-yne-2-ylradical
- 23445-E
- 1,3-Butadienyl
-
- Inchi： 1S/C4H3/c1-3-4-2/h1H,2H2
- InChI Key： QJBRNNNJBVJKPK-UHFFFAOYSA-N
- SMILES： C=[C]C#C |^1:1|
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 4
- Rotatable Bond Count: 1
- Complexity: 51.7
- Topological Polar Surface Area: 0
1,3-Butadienyl Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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