Text Search
Structure Search

5-methyl-4-oxohexanoic acid

5-methyl-4-oxohexanoic acid

CAS: 41654-04-0

Formula: C7H12O3

SMILES: CC(C)C(=O)CCC(O)=O

IUPAC: 5-methyl-4-oxohexanoic acid

InChI: InChI=1S/C7H12O3/c1-5(2)6(8)3-4-7(9)10/h5H,3-4H2,1-2H3,(H,9,10)

Composition: C (58.32%), H (8.39%), O (33.29%)

Molar Mass: 144.17

Atom Count: 22

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 144.078644246
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GQWLYLDUDAANSJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.29
Topological Polar Surface Area 54.37
Polarizability 14.26
Ring Count 0
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
J&W PHARMLAB LLC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 41654-04-0 $165.60-$3,447.70$165.60$216.20$316.25$516.35$917.70$3,447.70
Request Quote