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21620-60-0 | Propanoic acid, 2,3- dihydroxy-2-methyl-
CAS No: 21620-60-0 Catalog No: AG0032XZ MDL No:MFCD19228093
Product Description
Catalog Number:
AG0032XZ
Chemical Name:
Propanoic acid, 2,3- dihydroxy-2-methyl-
CAS Number:
21620-60-0
Molecular Formula:
C4H8O4
Molecular Weight:
120.1039
MDL Number:
MFCD19228093
IUPAC Name:
2,3-dihydroxy-2-methylpropanoic acid
InChI:
InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7)
InChI Key:
DGADNPLBVRLJGD-UHFFFAOYSA-N
SMILES:
OCC(C(=O)O)(O)C
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.042g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
120.104g/mol
Monoisotopic Mass:
120.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Literature
| Title | Journal |
|---|---|
| Atmospheric fate of methacrolein. 2. Formation of lactone and implications for organic aerosol production. | The journal of physical chemistry. A 20120621 |
| Organic speciation of atmospheric particles in Alvão Natural Park (Portugal). | Environmental monitoring and assessment 20100901 |
| Characterization and quantification of isoprene-derived epoxydiols in ambient aerosol in the southeastern United States. | Environmental science & technology 20100615 |
| Isoprene, monoterpene, and sesquiterpene oxidation products in the high Arctic aerosols during late winter to early summer. | Environmental science & technology 20090601 |
| Characterization of organosulfates from the photooxidation of isoprene and unsaturated fatty acids in ambient aerosol using liquid chromatography/(-) electrospray ionization mass spectrometry. | Journal of mass spectrometry : JMS 20080301 |
| Computational study on the properties and structure of methyl lactate. | The journal of physical chemistry. A 20070531 |
| Characterization of 2-methylglyceric acid oligomers in secondary organic aerosol formed from the photooxidation of isoprene using trimethylsilylation and gas chromatography/ion trap mass spectrometry. | Journal of mass spectrometry : JMS 20070101 |
| Chemical composition of secondary organic aerosol formed from the photooxidation of isoprene. | The journal of physical chemistry. A 20060810 |
| Combined synthetic/CD strategy for the stereochemical assignment of the tricarballylic acid side chains of fumonisin B(1). | The Journal of organic chemistry 20010601 |
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