Cas no 180461-61-4 (1,2-Benzenedicarboxaldehyde, 3-methoxy-)
180461-61-4 structure
Product Name:1,2-Benzenedicarboxaldehyde, 3-methoxy-
CAS No:180461-61-4
MF:C9H8O3
MW:164.158022880554
CID:1371593
PubChem ID:20391828
Update Time:2025-04-20
1,2-Benzenedicarboxaldehyde, 3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxaldehyde, 3-methoxy-
- IHJNGZXRTXJKJK-UHFFFAOYSA-N
- 3-Methoxyphthalaldehyde
- 3-methoxy-benzene-1,2-dicarbaldehyde
- 180461-61-4
- SCHEMBL1028678
-
- Inchi： 1S/C9H8O3/c1-12-9-4-2-3-7(5-10)8(9)6-11/h2-6H,1H3
- InChI Key： IHJNGZXRTXJKJK-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC=C(C=O)C=1C=O
Computed Properties
- Exact Mass: 164.04734
- Monoisotopic Mass: 164.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 167
- 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: 0.6
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
1,2-Benzenedicarboxaldehyde, 3-methoxy- Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
180461-61-4 (1,2-Benzenedicarboxaldehyde, 3-methoxy-) Related Products
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