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6628-79-1 | beta-Methyllevulinic Acid , 98%
CAS No: 6628-79-1 Catalog No: AG003O6E MDL No:MFCD00143691
Product Description
Catalog Number:
AG003O6E
Chemical Name:
beta-Methyllevulinic Acid , 98%
CAS Number:
6628-79-1
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD00143691
IUPAC Name:
3-methyl-4-oxopentanoic acid
InChI:
InChI=1S/C6H10O3/c1-4(5(2)7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChI Key:
NFIWUVRBASXMGK-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(=O)C)C
NSC Number:
59715
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
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