Cas no 263387-97-9 (1-Naphthalenecarboxylic acid, 3-cyano-2-methoxy-)
263387-97-9 structure
Product Name:1-Naphthalenecarboxylic acid, 3-cyano-2-methoxy-
CAS No:263387-97-9
MF:C13H9NO3
MW:227.215463399887
CID:1426782
PubChem ID:11117771
Update Time:2025-04-20
1-Naphthalenecarboxylic acid, 3-cyano-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarboxylic acid, 3-cyano-2-methoxy-
- 3-cyano-2-methoxy-1-naphthoic acid
- SCHEMBL4656053
- DB-315306
- 3-cyano-2-methoxynaphthalene-1-carboxylic acid
- RNJQXQYJXMLIAZ-UHFFFAOYSA-N
- SS-5357
- 2-Methoxy-3-cyano-1-naphthoic Acid
- 3-cyano-2-methoxy-1-napthoic acid
- 263387-97-9
-
- Inchi： 1S/C13H9NO3/c1-17-12-9(7-14)6-8-4-2-3-5-10(8)11(12)13(15)16/h2-6H,1H3,(H,15,16)
- InChI Key： RNJQXQYJXMLIAZ-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C#N)C=C2C=CC=CC2=C1C(=O)O
Computed Properties
- Exact Mass: 227.05827
- Monoisotopic Mass: 227.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 346
- 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: 2.4
- Topological Polar Surface Area: 70.3?2
Experimental Properties
- PSA: 70.32
1-Naphthalenecarboxylic acid, 3-cyano-2-methoxy- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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