Cas no 98704-00-8 (2-Phenyl-1,3-propanediol-d4)
2-Phenyl-1,3-propanediol-d4 structure
Product Name:2-Phenyl-1,3-propanediol-d4
CAS No:98704-00-8
MF:C9H12O2
MW:156.215029716492
CID:1002621
PubChem ID:12335567
Update Time:2025-04-20
2-Phenyl-1,3-propanediol-d4 Chemical and Physical Properties
Names and Identifiers
-
- 2-Phenyl-1,3-propanediol-d4
- 1,1,3,3-tetradeuterio-2-phenylpropane-1,3-diol
- 2-Phenyl-1,3-propane
- 2-Phenyl-1,3-propane-1,1,3,3-d4-diol
- 2-phenylpropane-1,3-diol-1,1,3,3-d4
- 2-Phenyl(1,1,3,3-~2~H_4_)propane-1,3-diol
- AKOS030255225
- SCHEMBL6136888
- 98704-00-8
- DTXSID50491247
-
- Inchi： 1S/C9H12O2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/i6D2,7D2
- InChI Key： BPBDZXFJDMJLIB-KXGHAPEVSA-N
- SMILES： OC([2H])([2H])C(C([2H])([2H])O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 156.10900
- Monoisotopic Mass: 156.108836605g/mol
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 93.7
- 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: 0.6
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46000
- LogP: 0.75480
2-Phenyl-1,3-propanediol-d4 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | P336092-100mg |
2-Phenyl-1,3-propanediol-d4 |
98704-00-8 | 100mg |
$190.00 | 2023-05-17 | ||
| TRC | P336092-1g |
2-Phenyl-1,3-propanediol-d4 |
98704-00-8 | 1g |
$ 1230.00 | 2022-06-03 | ||
| TRC | P336092-1000mg |
2-Phenyl-1,3-propanediol-d4 |
98704-00-8 | 1g |
$1487.00 | 2023-05-17 |
2-Phenyl-1,3-propanediol-d4 Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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