Cas no 130817-79-7 (Naphthalene,1-ethynyl-2,7-dimethoxy-)
130817-79-7 structure
Product Name:Naphthalene,1-ethynyl-2,7-dimethoxy-
CAS No:130817-79-7
MF:C14H12O2
MW:212.243884086609
CID:161153
PubChem ID:131308
Update Time:2025-04-19
Naphthalene,1-ethynyl-2,7-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Naphthalene,1-ethynyl-2,7-dimethoxy-
- 1-ethynyl-2,7-dimethoxynaphthalene
- EDMN
- 130817-79-7
- DTXSID20156755
- Naphthalene, 1-ethynyl-2,7-dimethoxy-
-
- Inchi： 1S/C14H12O2/c1-4-12-13-9-11(15-2)7-5-10(13)6-8-14(12)16-3/h1,5-9H,2-3H3
- InChI Key： NNBINVCZPJUFLU-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=C2C=CC(=CC2=C1C#C)OC
Computed Properties
- Exact Mass: 212.08376
- Monoisotopic Mass: 212.08373
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 278
- 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
- Topological Polar Surface Area: 18.5
- XLogP3: 3.4
Experimental Properties
- Density: 1.13
- Boiling Point: 360°Cat760mmHg
- Flash Point: 152.2°C
- Refractive Index: 1.604
- PSA: 18.46
Naphthalene,1-ethynyl-2,7-dimethoxy- Related Literature
-
1. Cooperative CC–H ? CC–H interactions: crystal structure of DL-prop-2-ynylglycine and database study of terminal alkynesThomas Steiner J. Chem. Soc. Chem. Commun. 1995 95
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