Cas no 62747-89-1 (Benzoic acid, 2-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester)
62747-89-1 structure
Product Name:Benzoic acid, 2-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
CAS No:62747-89-1
MF:C12H16O6
MW:256.251844406128
CID:433333
PubChem ID:19837326
Update Time:2025-04-19
Benzoic acid, 2-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
- [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-hydroxybenzoate
- DTXSID10600459
- MDVUEEPLZMJRBU-UHFFFAOYSA-N
- 3-Hydroxy-2,2-bis(hydroxymethyl)propyl 2-hydroxybenzoate
- Pentaerythritol salicylate
- SCHEMBL10537051
- 62747-89-1
-
- Inchi： 1S/C12H16O6/c13-5-12(6-14,7-15)8-18-11(17)9-3-1-2-4-10(9)16/h1-4,13-16H,5-8H2
- InChI Key： MDVUEEPLZMJRBU-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1O)=O)CC(CO)(CO)CO
Computed Properties
- Exact Mass: 256.09468
- Monoisotopic Mass: 256.09468823g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 255
- 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: 107?2
Experimental Properties
- PSA: 107.22
Benzoic acid, 2-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
62747-89-1 (Benzoic acid, 2-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester) Related Products
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