Cas no 5164-91-0 (3-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopropanoic acid)
5164-91-0 structure
Product Name:3-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopropanoic acid
CAS No:5164-91-0
MF:C17H16O5
MW:300.305945396423
CID:935665
PubChem ID:317412
Update Time:2025-04-19
3-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopropanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopropanoic acid
- 3-[3-(benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid
- DTXSID90312043
- DS-004576
- NSC249187
- NSC-249187
- 5164-91-0
- 3-(4-methoxy-3-phenylmethoxy-phenyl)-2-oxo-propanoic acid
-
- Inchi： 1S/C17H16O5/c1-21-15-8-7-13(9-14(18)17(19)20)10-16(15)22-11-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,19,20)
- InChI Key： GMFXKTPSYBSNQM-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1=C(C=CC(CC(C(=O)O)=O)=C1)OC
Computed Properties
- Exact Mass: 300.10000
- Monoisotopic Mass: 300.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 375
- 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: 2.5
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- Density: 1.255
- Boiling Point: 469.6°C at 760 mmHg
- Flash Point: 171.4°C
- Refractive Index: 1.582
- PSA: 72.83000
- LogP: 2.47040
3-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopropanoic acid Customs Data
- HS CODE：2918990090
- Customs Data：
China Customs Code:
2918990090Overview:
2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
3-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopropanoic acid Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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