Cas no 136051-64-4 (Phenol,3-(7-methoxy-1,3-benzodioxol-5-yl)-)
136051-64-4 structure
Product Name:Phenol,3-(7-methoxy-1,3-benzodioxol-5-yl)-
CAS No:136051-64-4
MF:C14H12O4
MW:244.242684364319
CID:199730
PubChem ID:126216
Update Time:2025-04-19
Phenol,3-(7-methoxy-1,3-benzodioxol-5-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,3-(7-methoxy-1,3-benzodioxol-5-yl)-
- 3-(7-methoxy-1,3-benzodioxol-5-yl)phenol
- 3'-Hydroxy-5-methoxy-3,4-methylenedioxybiphenyl
- 3'-Hmmdb
- 136051-64-4
- Phenol, 3-(7-methoxy-1,3-benzodioxol-5-yl)-
- DTXSID10159639
- 3/'-Hydroxy-5-methoxy-3,4-methylenedioxybiphenyl
- 3'-Hydroxy-3-methoxy-4,5-methylenedioxybiphenyl
- NCGC00385846-01
- 3-(7-Methoxybenzo[d][1,3]dioxol-5-yl)phenol
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- Inchi: 1S/C14H12O4/c1-16-12-6-10(7-13-14(12)18-8-17-13)9-3-2-4-11(15)5-9/h2-7,15H,8H2,1H3
- InChI Key: RZEQCWOSRBVTLN-UHFFFAOYSA-N
- SMILES: O1COC2C(=CC(C3C=CC=C(C=3)O)=CC1=2)OC
Computed Properties
- Exact Mass: 244.07356
- Monoisotopic Mass: 244.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 283
- 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: 3
- Topological Polar Surface Area: 47.9?2
Experimental Properties
- PSA: 47.92
Phenol,3-(7-methoxy-1,3-benzodioxol-5-yl)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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