Cas no 81700-63-2 (Pentanedial,2-(phenylmethylene)-)
81700-63-2 structure
Product Name:Pentanedial,2-(phenylmethylene)-
CAS No:81700-63-2
MF:C12H12O2
MW:188.222483634949
CID:724573
PubChem ID:6509794
Update Time:2025-04-19
Pentanedial,2-(phenylmethylene)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanedial,2-(phenylmethylene)-
- 2-benzylideneglutaraldehyde
- 2-benzylidenepentanedial
- EINECS 279-795-3
- 81700-63-2
- SCHEMBL11147740
-
- Inchi： 1S/C12H12O2/c13-8-4-7-12(10-14)9-11-5-2-1-3-6-11/h1-3,5-6,8-10H,4,7H2/b12-9+
- InChI Key： HAYKPICIXKOWSF-FMIVXFBMSA-N
- SMILES： O=C/C(=C/C1C=CC=CC=1)/CCC=O
Computed Properties
- Exact Mass: 188.083729621g/mol
- Monoisotopic Mass: 188.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 212
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 34.1?2
Pentanedial,2-(phenylmethylene)- Related Literature
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
81700-63-2 (Pentanedial,2-(phenylmethylene)-) Related Products
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