Cas no 64360-42-5 (Benzeneacetic acid, 3-methyl-4-(phenylmethoxy)-)
64360-42-5 structure
Product Name:Benzeneacetic acid, 3-methyl-4-(phenylmethoxy)-
CAS No:64360-42-5
MF:C16H16O3
MW:256.296444892883
CID:1677849
PubChem ID:3248702
Update Time:2025-04-21
Benzeneacetic acid, 3-methyl-4-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 3-methyl-4-(phenylmethoxy)-
- 64360-42-5
- TWAKAZAKNGJYJJ-UHFFFAOYSA-N
- (4-(BENZYLOXY)-3-METHYLPHENYL)ACETIC ACID
- AKOS022275526
- PHENYLACETIC ACID,3-ME-4-PHMEO
- DTXSID40877990
- [4-(benzyloxy)-3-methylphenyl]acetic acid
- SCHEMBL2793815
-
- Inchi： 1S/C16H16O3/c1-12-9-14(10-16(17)18)7-8-15(12)19-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,17,18)
- InChI Key： TWAKAZAKNGJYJJ-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1C=CC(CC(=O)O)=CC=1C
Computed Properties
- Exact Mass: 256.10998
- Monoisotopic Mass: 256.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 284
- 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: 46.5?2
Experimental Properties
- PSA: 46.53
Benzeneacetic acid, 3-methyl-4-(phenylmethoxy)- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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