Cas no 90233-53-7 (Benzoic acid, 4-propoxy-, 4-(methoxycarbonyl)phenyl ester)
90233-53-7 structure
Product Name:Benzoic acid, 4-propoxy-, 4-(methoxycarbonyl)phenyl ester
CAS No:90233-53-7
MF:C18H18O5
MW:314.332525730133
CID:791658
PubChem ID:23011680
Update Time:2025-04-19
Benzoic acid, 4-propoxy-, 4-(methoxycarbonyl)phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-propoxy-, 4-(methoxycarbonyl)phenyl ester
- (4-methoxycarbonylphenyl) 4-propoxybenzoate
- SCHEMBL14926537
- AKOS003504119
- 4-(METHOXYCARBONYL)PHENYL 4-PROPOXYBENZOATE
- DTXSID30629804
- 90233-53-7
-
- Inchi： 1S/C18H18O5/c1-3-12-22-15-8-4-14(5-9-15)18(20)23-16-10-6-13(7-11-16)17(19)21-2/h4-11H,3,12H2,1-2H3
- InChI Key： GTNVWTMGZZEGLQ-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=O)OC2C=CC(C(=O)OC)=CC=2)=CC=1)CCC
Computed Properties
- Exact Mass: 314.11542367g/mol
- Monoisotopic Mass: 314.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 379
- 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: 4.1
- Topological Polar Surface Area: 61.8?2
Benzoic acid, 4-propoxy-, 4-(methoxycarbonyl)phenyl ester Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
90233-53-7 (Benzoic acid, 4-propoxy-, 4-(methoxycarbonyl)phenyl ester) Related Products
- 744-45-6(Diphenyl isophthalate)
- 93-44-7(naphthalen-2-yl benzoate)
- 5438-19-7(4-Propoxybenzoic acid)
- 23676-08-6(Methyl 4-Ethyloxybenzoate)
- 32122-11-5(Methyl 4-benzyloxybenzoate)
- 93-99-2(Phenyl benzoate)
- 136-36-7(3-Hydroxyphenyl benzoate)
- 94-01-9(1,3-Dibenzoyloxybenzene)
- 2345-34-8(4-Acetoxybenzoic acid)
- 121-98-2(Methyl 4-methoxybenzoate)
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