Cas no 28804-90-2 (Naphthalenecarboxylicacid, methyl ester)
28804-90-2 structure
Product Name:Naphthalenecarboxylicacid, methyl ester
CAS No:28804-90-2
MF:C12H10O2
MW:186.206603527069
CID:280282
PubChem ID:120056
Update Time:2025-04-19
Naphthalenecarboxylicacid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Naphthalenecarboxylicacid, methyl ester
- methyl naphthoate
- 28804-90-2
- SCHEMBL522791
- N0615
- EN300-341832
- Methyl 1-naphthoate
- CS-0138236
- FT-0634297
- 1-Naphthoic Acid Methyl Ester
- NSC23049
- DTXSID901030976
- 1-Naphthoic acid, methyl ester
- methyl naphthalene-1-carboxylate
- D91749
- 2459-24-7
- SY211689
- NS00014376
- InChI=1/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
- methyl alpha-naphthoate
- 1-Naphthalenecarboxylic acid, methyl ester
- EINECS 249-242-0
- NSC-23049
- 1-Naphthalenecarboxylic acid methyl ester
- Q63408692
- AKOS008905557
- naphthalene-1-carboxylic acid methyl ester
- Methyl 1-naphthalenecarboxylate
- CAA45924
- MFCD00094243
- 1-(Methoxycarbonyl)naphthalene
- HMRROBKAACRWBP-UHFFFAOYSA-
-
- Inchi： 1S/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
- InChI Key： HMRROBKAACRWBP-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC=C2C=CC=CC2=1)=O
Computed Properties
- Exact Mass: 186.0681
- Monoisotopic Mass: 186.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 212
- 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: 3.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Naphthalenecarboxylicacid, methyl ester Related Literature
-
Nagaraju Koppanathi,K. C. Kumara Swamy Org. Biomol. Chem. 2016 14 5079
-
Hongliang Wang,Shuo-Qing Zhang,Xin Hong Chem. Commun. 2019 55 11330
-
Maxwell A. Casely-Hayford,Klaus Pors,Colin H. James,Laurence H. Patterson,John A. Hartley,Mark Searcey Org. Biomol. Chem. 2005 3 3585
-
5. The durene effect: unique properties of some substances derived from dureneMalcolm Crawford,F. H. C. Stewart Trans. Faraday Soc. 1953 49 752
28804-90-2 (Naphthalenecarboxylicacid, methyl ester) Related Products
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- 2459-25-8(Methyl 2-naphthoate)
- 6908-41-4(Methyl 4-(hydroxymethyl)benzoate)
- 99-75-2(Methyl p-Toluate)
- 1459-93-4(Dimethyl isophthalate)
- 52178-50-4(Methyl 3-formylbenzoate)
- 1877-71-0(Monomethyl Isophthalate)
- 120-61-6(Dimethyl terephthalate)
- 840-65-3(Dimethyl naphthalene-2,6-dicarboxylate)
- 99-36-5(Methyl 3-methylbenzoate)
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