Cas no 125712-82-5 ((S)-1-(3-Nitrophenyl)propanol)
(S)-1-(3-Nitrophenyl)propanol structure
Product Name:(S)-1-(3-Nitrophenyl)propanol
CAS No:125712-82-5
MF:C9H11NO3
MW:181.188542604446
CID:63789
PubChem ID:10511608
Update Time:2025-04-18
(S)-1-(3-Nitrophenyl)propanol Chemical and Physical Properties
Names and Identifiers
-
- (S)-1-(3-Nitrophenyl)propanol
- (S)1-(3-NITROPHENYL)PROPANOL
- 1-(3-nitrophenyl)propan-1-ol
- DTXSID70441007
- LSEJDXFJBNGGBI-UHFFFAOYSA-N
- BCP12168
- 125712-82-5
- SCHEMBL2509178
- 29067-53-6
- FT-0658389
- alpha-ethyl-3-nitrobenzyl alcohol
- EN300-296168
- alpha-ethyl-3-nitro-benzenemethanol
-
- Inchi： 1S/C9H11NO3/c1-2-9(11)7-4-3-5-8(6-7)10(12)13/h3-6,9,11H,2H2,1H3
- InChI Key： LSEJDXFJBNGGBI-UHFFFAOYSA-N
- SMILES： OC(CC)C1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 181.07389321g/mol
- Monoisotopic Mass: 181.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 178
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 66?2
Experimental Properties
- Density: 1.217
- Boiling Point: 295.307 °C at 760 mmHg
- Flash Point: 127.842 °C
- PSA: 66.05000
- LogP: 2.56140
(S)-1-(3-Nitrophenyl)propanol Related Literature
-
Sjoerd Slagman,Wolf-Dieter Fessner Chem. Soc. Rev. 2021 50 1968
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