Cas no 179388-73-9 (Benzyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)
179388-73-9 structure
Product Name:Benzyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CAS No:179388-73-9
MF:C12H16O4
MW:224.253044128418
CID:1369173
PubChem ID:11287527
Update Time:2025-04-20
Benzyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate Chemical and Physical Properties
Names and Identifiers
-
- Benzyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
- 2,2-BIS(HYDROXYMETHYL)-PROPANOIC ACID BENZYL ESTER
- CTK4D7263
- benzyl 2,2-bis(hydroxymethyl)propanoate
- 2,2-bis(hydroxymethyl)propionic acid benzyl ester
- AGN-PC-0061R5
- Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, phenylmethylester
- AG-E-29714
- SureCN846938
- benzyl 2,2-bis(hydroxymethyl)propionate
- 2,2-bis(hydroxy)methylpropionic acid benzyl ester
- benzyl-2,2-bis(hydroxymethyl)propionate
- 2,2-BIS(HYDROXYMETHYL)-PROPANOIC ACID BENZYL ESTER; CTK4D7263; benzyl 2,2-bis(hydroxymethyl)propanoate; 2,2-bis(hydroxymethyl)propionic acid benzyl ester; AGN-PC-0061R5; Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, phenylmethylester; AG-E-29714; SureCN846938; benzyl 2,2-bis(hydroxymethyl)propionate; 2,2-bis(hydroxy)methylpropionic acid benzyl ester; benzyl-2,2-bis(hydroxymethyl)propionate;
- 2,2-BIS-(HYDROXYMETHYL)-PROPANOIC ACID BENZYL ESTER
- benzyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate(WS204500)
- benzyl 2,2-bis(methylol)propionate
- Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, phenylmethyl ester
- SCHEMBL846938
- VGFNGLUDOVQRNF-UHFFFAOYSA-N
- W17824
- DTXSID90461267
- Phenylmethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
- benzyl3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
- 179388-73-9
-
- Inchi: 1S/C12H16O4/c1-12(8-13,9-14)11(15)16-7-10-5-3-2-4-6-10/h2-6,13-14H,7-9H2,1H3
- InChI Key: VGFNGLUDOVQRNF-UHFFFAOYSA-N
- SMILES: O(CC1C=CC=CC=1)C(C(C)(CO)CO)=O
Computed Properties
- Exact Mass: 224.10500
- Monoisotopic Mass: 224.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 217
- 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: 66.8?2
Experimental Properties
- PSA: 66.76000
- LogP: 0.72070
Benzyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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