Cas no 77468-41-8 (Methylphenanthrenecarboxaldehyde)
77468-41-8 structure
Product Name:Methylphenanthrenecarboxaldehyde
CAS No:77468-41-8
MF:C16H12O
MW:220.265884399414
CID:581042
Update Time:2023-03-29
Methylphenanthrenecarboxaldehyde Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrenecarboxaldehyde,methyl- (9CI)
- Methylphenanthrenecarboxaldehyde
-
- Inchi： 1S/C16H12O/c1-11-6-8-14-13-5-3-2-4-12(13)7-9-15(14)16(11)10-17/h2-10H,1H3
- InChI Key： ZHZQEAAEWWXFQK-UHFFFAOYSA-N
- SMILES： C1(C=O)=C2C(C3C(C=C2)=CC=CC=3)=CC=C1C
Computed Properties
- Exact Mass: 264.075057
- Monoisotopic Mass: 264.075057
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 355
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
Methylphenanthrenecarboxaldehyde Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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