Cas no 91748-03-7 (2-(p-nitrophenyl)-1,3-propandiol)
91748-03-7 structure
Product Name:2-(p-nitrophenyl)-1,3-propandiol
CAS No:91748-03-7
MF:C9H11NO4
MW:197.187942743301
CID:1969557
PubChem ID:548189
Update Time:2025-04-21
2-(p-nitrophenyl)-1,3-propandiol Chemical and Physical Properties
Names and Identifiers
-
- 2-(P-NITROPHENYL)-1,3-PROPANDIOL
- RARECHEM AL BD 1252
- 2-(4-nitrophenyl)propane-1,3-diol
- 1,3-dihydroxy-2-(4-nitrophenyl)propane
- DB-202228
- 2-(p-Nitrophenyl)-1,3-propanediol
- LWDKPEXFAQGVTE-UHFFFAOYSA-N
- 2-(4-Nitrophenyl)-1,3-propanediol #
- AKOS006295692
- SCHEMBL867120
- J-506087
- 91748-03-7
- 2-(4-Nitrophenyl)-1,3-propanediol
- 2-(p-nitrophenyl)-1,3-propandiol
-
- Inchi： 1S/C9H11NO4/c11-5-8(6-12)7-1-3-9(4-2-7)10(13)14/h1-4,8,11-12H,5-6H2
- InChI Key： LWDKPEXFAQGVTE-UHFFFAOYSA-N
- SMILES： OCC(CO)C1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 197.06900
- Monoisotopic Mass: 197.06880783Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 180
- 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: 1
- Topological Polar Surface Area: 86.3?2
Experimental Properties
- PSA: 86.28000
- LogP: 1.18620
2-(p-nitrophenyl)-1,3-propandiol Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
91748-03-7 (2-(p-nitrophenyl)-1,3-propandiol) Related Products
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