Cas no 113050-03-6 (Heptanedioic acid, 4-(4-pyridinyl)-, hydrochloride)
113050-03-6 structure
Product Name:Heptanedioic acid, 4-(4-pyridinyl)-, hydrochloride
CAS No:113050-03-6
MF:C12H16ClNO4
MW:273.712742805481
CID:2609950
Update Time:2023-08-07
Heptanedioic acid, 4-(4-pyridinyl)-, hydrochloride Chemical and Physical Properties
Names and Identifiers
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- 4-pyridin-4-ylheptanedioic acid,hydrochloride
- Heptanedioic acid, 4-(4-pyridinyl)-, hydrochloride
- 4-(Pyridin-4-yl)heptanedioic acid--hydrogen chloride (1/1)
-
- Inchi: 1S/C12H15NO4.ClH/c14-11(15)3-1-9(2-4-12(16)17)10-5-7-13-8-6-10;/h5-9H,1-4H2,(H,14,15)(H,16,17);1H
- InChI Key: AOINMNQWIDULOU-UHFFFAOYSA-N
- SMILES: Cl.OC(CCC(C1C=CN=CC=1)CCC(=O)O)=O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 243
- Topological Polar Surface Area: 87.5
Heptanedioic acid, 4-(4-pyridinyl)-, hydrochloride Related Literature
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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