Cas no 54541-19-4 (1,2-Propanediol,1-propanoate)
1,2-Propanediol,1-propanoate structure
Product Name:1,2-Propanediol,1-propanoate
CAS No:54541-19-4
MF:C6H12O3
MW:132.157682418823
CID:376216
PubChem ID:117252
Update Time:2025-04-19
1,2-Propanediol,1-propanoate Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol,1-propanoate
- 2-Hydroxypropyl propionate
- Propane-1,2-diol, monopropionate
- NS00050412
- EINECS 247-039-1
- 2-Hydroxypropyl propanoatato
- DTXSID80948390
- EINECS 259-208-7
- 25496-75-7
- SCHEMBL444679
- 54541-19-4
- propane-1,2-diol,monopropionate
-
- Inchi： 1S/C6H12O3/c1-3-6(8)9-4-5(2)7/h5,7H,3-4H2,1-2H3
- InChI Key： AAMWEWAFFUFOJV-UHFFFAOYSA-N
- SMILES： O(C(CC)=O)CC(C)O
Computed Properties
- Exact Mass: 132.07866
- Monoisotopic Mass: 132.078644
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 90.3
- 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
- Topological Polar Surface Area: 46.5
- XLogP3: 0.3
Experimental Properties
- PSA: 46.53
1,2-Propanediol,1-propanoate Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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2. 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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
54541-19-4 (1,2-Propanediol,1-propanoate) Related Products
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