Cas no 878744-28-6 (Benzoic acid, 3-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]-)
![Benzoic acid, 3-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]- structure](https://ossimg.kuujia.com/scimg/879000/878744-28-6x500.png)
878744-28-6 structure
Product Name:Benzoic acid, 3-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]-
CAS No:878744-28-6
MF:C13H17NO5S
MW:299.342782735825
CID:1918654
PubChem ID:43246161
Update Time:2025-04-21
Benzoic acid, 3-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]-
- 3-[[4-(Hydroxymethyl)-1-piperidinyl]sulfonyl]benzoic acid
- 878744-28-6
- SCHEMBL3931238
- DB-424379
-
- Inchi： 1S/C13H17NO5S/c15-9-10-4-6-14(7-5-10)20(18,19)12-3-1-2-11(8-12)13(16)17/h1-3,8,10,15H,4-7,9H2,(H,16,17)
- InChI Key： OFHPLNDJSHPWNL-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C(=O)O)C=1)(N1CCC(CO)CC1)(=O)=O
Computed Properties
- Exact Mass: 299.08274382Da
- Monoisotopic Mass: 299.08274382Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 436
- 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: 0.7
- Topological Polar Surface Area: 103?2
Benzoic acid, 3-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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