Cas no 350044-89-2 (Butanedioic acid, (2-naphthalenylmethylene)-)
350044-89-2 structure
Product Name:Butanedioic acid, (2-naphthalenylmethylene)-
CAS No:350044-89-2
MF:C15H12O4
MW:256.253384590149
CID:1467186
PubChem ID:85788583
Update Time:2025-04-20
Butanedioic acid, (2-naphthalenylmethylene)- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, (2-naphthalenylmethylene)-
- DTXSID301262806
- 350044-89-2
- 2-(2-Naphthalenylmethylene)butanedioic acid
-
- Inchi： 1S/C15H12O4/c16-14(17)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H,16,17)(H,18,19)
- InChI Key： GVXIMOFRFRNVSO-UHFFFAOYSA-N
- SMILES： OC(C(CC(=O)O)=CC1C=CC2C=CC=CC=2C=1)=O
Computed Properties
- Exact Mass: 256.07356
- Monoisotopic Mass: 256.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 386
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.6
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Butanedioic acid, (2-naphthalenylmethylene)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
350044-89-2 (Butanedioic acid, (2-naphthalenylmethylene)-) Related Products
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