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6641-83-4 | alpha-Methyllevulinic Acid , 98%
CAS No: 6641-83-4 Catalog No: AG003NSE MDL No:MFCD00143584
Product Description
Catalog Number:
AG003NSE
Chemical Name:
alpha-Methyllevulinic Acid , 98%
CAS Number:
6641-83-4
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD00143584
IUPAC Name:
2-methyl-4-oxopentanoic acid
InChI:
InChI=1S/C6H10O3/c1-4(6(8)9)3-5(2)7/h4H,3H2,1-2H3,(H,8,9)
InChI Key:
UZTJTTKEYGHTNM-UHFFFAOYSA-N
SMILES:
CC(=O)CC(C(=O)O)C
NSC Number:
15757
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Effectiveness of cross polarized light and fluorescence diagnosis for detection of sub-clinical and clinical actinic keratosis during imiquimod treatment. | Experimental dermatology 20100701 |
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