Cas no 342611-03-4 (Benzaldehyde-formyl-d,4-(methoxy-d3)- (9CI))
342611-03-4 structure
Product Name:Benzaldehyde-formyl-d,4-(methoxy-d3)- (9CI)
CAS No:342611-03-4
MF:C8H8O2
MW:140.172569274902
CID:304709
PubChem ID:102601081
Update Time:2025-04-19
Benzaldehyde-formyl-d,4-(methoxy-d3)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde-formyl-d,4-(methoxy-d3)- (9CI)
- 342611-03-4
- 4-(Methoxy-d3)benzaldehyde-formyl-d
- DTXSID301292247
- 4-METHOXY-D3-BENZALDEHYDE-alpha-D1
-
- Inchi： 1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3/i1D3,6D
- InChI Key： ZRSNZINYAWTAHE-BKLIMVFQSA-N
- SMILES： O(C([2H])([2H])[2H])C1C=CC(C([2H])=O)=CC=1
Computed Properties
- Exact Mass: 140.078
- Monoisotopic Mass: 140.078
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 104
- 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: 1.8
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- PSA: 26.30000
- LogP: 1.50770
Benzaldehyde-formyl-d,4-(methoxy-d3)- (9CI) Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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