Cas no 64264-21-7 (Benzenepropanoic acid, 4-(phenoxymethyl)-)
64264-21-7 structure
Product Name:Benzenepropanoic acid, 4-(phenoxymethyl)-
CAS No:64264-21-7
MF:C16H16O3
MW:256.296444892883
CID:424342
PubChem ID:54582148
Update Time:2025-04-19
Benzenepropanoic acid, 4-(phenoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, 4-(phenoxymethyl)-
- 3-[4-(phenoxymethyl)phenyl]propanoic acid
- 64264-21-7
- SCHEMBL2772440
- 3-(4-(Phenoxymethyl)Phenyl)Propanoic Acid
- DAKROGDTSDTCAY-UHFFFAOYSA-N
- CHEMBL1773246
- DTXSID80712356
-
- Inchi： 1S/C16H16O3/c17-16(18)11-10-13-6-8-14(9-7-13)12-19-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,17,18)
- InChI Key： DAKROGDTSDTCAY-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)CC1C=CC(=CC=1)CCC(=O)O
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: 6
- Complexity: 263
- 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: 3.5
- Topological Polar Surface Area: 46.5A^2
Experimental Properties
- PSA: 46.53
Benzenepropanoic acid, 4-(phenoxymethyl)- Related Literature
-
David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
64264-21-7 (Benzenepropanoic acid, 4-(phenoxymethyl)-) Related Products
- 4919-34-0(3-(4-Ethoxyphenyl)propanoic acid)
- 50463-48-4(3-4-(benzyloxy)phenylpropanoic acid)
- 165119-29-9(3-(4-(Benzyloxy)phenyl)pentanedioic acid)
- 57668-34-5(3-[3-(benzyloxy)phenyl]propanoic acid)
- 30034-49-2(Benzenepropanoic acid, 3-methoxy-4-(phenylmethoxy)-)
- 68486-77-1(3-[4-(benzyloxy)phenyl]propanal)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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