Cas no 143631-89-4 (Benzaldehyde,3-methyl-2-nitroso-)
143631-89-4 structure
Product Name:Benzaldehyde,3-methyl-2-nitroso-
CAS No:143631-89-4
MF:C8H7NO2
MW:149.146682024002
CID:108441
PubChem ID:15688200
Update Time:2025-04-18
Benzaldehyde,3-methyl-2-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,3-methyl-2-nitroso-
- 3-methyl-2-nitrosobenzaldehyde
- 143631-89-4
- SCHEMBL12391597
- DTXSID70576909
- Benzaldehyde, 3-methyl-2-nitroso- (9CI)
-
- Inchi： 1S/C8H7NO2/c1-6-3-2-4-7(5-10)8(6)9-11/h2-5H,1H3
- InChI Key： VOQDWFPPJQVSTE-UHFFFAOYSA-N
- SMILES： O=CC1=CC=CC(C)=C1N=O
Computed Properties
- Exact Mass: 149.04771
- Monoisotopic Mass: 149.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 158
- 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
- XLogP3: 1.1
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.5
Benzaldehyde,3-methyl-2-nitroso- Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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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