Cas no 106143-06-0 (1,2-Benzenediol, 4-(2-propenyl)-, monoacetate)
106143-06-0 structure
Product Name:1,2-Benzenediol, 4-(2-propenyl)-, monoacetate
CAS No:106143-06-0
MF:C11H14O4
MW:210.226463794708
CID:97351
PubChem ID:67110535
Update Time:2025-04-18
1,2-Benzenediol, 4-(2-propenyl)-, monoacetate Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 4-(2-propenyl)-, monoacetate
- acetic acid,4-prop-2-enylbenzene-1,2-diol
- 106143-06-0
- Acetic acid--4-(prop-2-en-1-yl)benzene-1,2-diol (1/1)
- SCHEMBL1657169
- DTXSID70736445
-
- Inchi: 1S/C9H10O2.C2H4O2/c1-2-3-7-4-5-8(10)9(11)6-7;1-2(3)4/h2,4-6,10-11H,1,3H2;1H3,(H,3,4)
- InChI Key: LOAGXMZDTMHUGJ-UHFFFAOYSA-N
- SMILES: OC1=C(C=CC(=C1)CC=C)O.OC(C)=O
Computed Properties
- Exact Mass: 192.07866
- Monoisotopic Mass: 210.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 165
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 46.53
1,2-Benzenediol, 4-(2-propenyl)-, monoacetate Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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