Cas no 30039-44-2 (Benzenemethanol,4-nitro-, 1-propanoate)
30039-44-2 structure
Product Name:Benzenemethanol,4-nitro-, 1-propanoate
CAS No:30039-44-2
MF:C10H11NO4
MW:209.198642969131
CID:307350
PubChem ID:147323
Update Time:2025-04-19
Benzenemethanol,4-nitro-, 1-propanoate Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol,4-nitro-, 1-propanoate
- (4-nitrophenyl)methyl propanoate
- 4-Nitrobenzyl propionate
- benzenemethanol, 4-nitro-, propanoate (ester)
- BENZENEMETHANOL, 4-NITRO-, 1-PROPANOATE
- p-Nitrobenzyl propionate
- UNII-JJ90EM9PMV
- JJ90EM9PMV
- Benzenemethanol, 4-nitro-, propanoate
- SCHEMBL13296291
- DTXSID50184102
- 4-Nitrobenzenemethanol propanoate
- SCHEMBL6141237
- PROPIONIC ACID, P-NITROBENZYL ESTER
- 30039-44-2
- 4-Nitrobenzenemethanol propionate
- CCRIS 7960
-
- Inchi： 1S/C10H11NO4/c1-2-10(12)15-7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3
- InChI Key： KKWLVJAHJBMNLB-UHFFFAOYSA-N
- SMILES： O(C(CC)=O)CC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 209.06883
- Monoisotopic Mass: 209.068808
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 228
- 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: 2.2
- Topological Polar Surface Area: 72.1
Experimental Properties
- Density: 1.226
- Boiling Point: 318.9°Cat760mmHg
- Flash Point: 141.9°C
- Refractive Index: 1.538
- PSA: 69.44
Benzenemethanol,4-nitro-, 1-propanoate Related Literature
-
Erik Daa Funder,Julie B. Trads,Kurt V. Gothelf Org. Biomol. Chem. 2015 13 185
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