Cas no 773873-35-1 (Benzenemethanol,4-(1-oxopropoxy)-)
773873-35-1 structure
Product Name:Benzenemethanol,4-(1-oxopropoxy)-
CAS No:773873-35-1
MF:C10H12O3
MW:180.200483322144
CID:552277
PubChem ID:21432156
Update Time:2025-04-19
Benzenemethanol,4-(1-oxopropoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol,4-(1-oxopropoxy)-
- Benzenemethanol, 4-(1-oxopropoxy)- (9CI)
- [4-(hydroxymethyl)phenyl] propanoate
- 4-propionyloxybenzyl alcohol
- SCHEMBL170186
- DTXSID10613746
- AKOS006294233
- VXDNHROQIGVQIR-UHFFFAOYSA-N
- 773873-35-1
- 4-(Hydroxymethyl)phenyl propanoate
-
- Inchi: 1S/C10H12O3/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h3-6,11H,2,7H2,1H3
- InChI Key: VXDNHROQIGVQIR-UHFFFAOYSA-N
- SMILES: O(C(CC)=O)C1C=CC(CO)=CC=1
Computed Properties
- Exact Mass: 180.07866
- Monoisotopic Mass: 180.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 160
- 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: 1.3
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzenemethanol,4-(1-oxopropoxy)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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