Cas no 3007-96-3 (1-naphthalenecarboxylic acid, propyl ester)
3007-96-3 structure
Product Name:1-naphthalenecarboxylic acid, propyl ester
CAS No:3007-96-3
MF:C14H14O2
MW:214.259764194489
CID:1441045
PubChem ID:13262703
Update Time:2025-04-20
1-naphthalenecarboxylic acid, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-naphthalenecarboxylic acid, propyl ester
- Propyl 1-naphthoate
- LogP
- propyl naphthalene-1-carboxylate
- SCHEMBL2117339
- DVFZYEJUWGWKLC-UHFFFAOYSA-N
- AKOS005766685
- 1-Naphthoic acid propyl ester
- naphthalene-1-carboxylic acid propyl ester
- propyl naphthalenecarboxylate
- DTXSID20532853
- 3007-96-3
-
- Inchi： 1S/C14H14O2/c1-2-10-16-14(15)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3
- InChI Key： DVFZYEJUWGWKLC-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C2C=CC=CC2=1)=O)CCC
Computed Properties
- Exact Mass: 214.09942
- Monoisotopic Mass: 214.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 237
- 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: 4.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
1-naphthalenecarboxylic acid, propyl ester Related Literature
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
3007-96-3 (1-naphthalenecarboxylic acid, propyl ester) Related Products
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