Cas no 62606-55-7 (Acetic acid, (heptylphenoxy)-)
Acetic acid, (heptylphenoxy)- structure
Product Name:Acetic acid, (heptylphenoxy)-
CAS No:62606-55-7
MF:C15H22O3
MW:250.333384990692
CID:438373
PubChem ID:71384682
Update Time:2025-04-19
Acetic acid, (heptylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, (heptylphenoxy)-
- 2-(2-heptylphenoxy)acetic acid
- DTXSID10806934
- (2-Heptylphenoxy)acetic acid
- 62606-55-7
-
- Inchi： 1S/C15H22O3/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)18-12-15(16)17/h7-8,10-11H,2-6,9,12H2,1H3,(H,16,17)
- InChI Key： BPKIBYKFDABVEI-UHFFFAOYSA-N
- SMILES： O(CC(=O)O)C1C=CC=CC=1CCCCCCC
Computed Properties
- Exact Mass: 250.15696
- Monoisotopic Mass: 250.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 228
- 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: 5.2
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Acetic acid, (heptylphenoxy)- Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
62606-55-7 (Acetic acid, (heptylphenoxy)-) Related Products
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- 3115-49-9(4-Nonylphenoxyacetic Acid)
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