SEC-BUTYL MALEATE

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
UNII 4B4K05YS75

Structure

InChI Key GTVVADNAPPKOSH-PLNGDYQASA-N
Smiles CCC(C)OC(=O)/C=CC(=O)O
InChI
InChI=1S/C8H12O4/c1-3-6(2)12-8(11)5-4-7(9)10/h4-6H,3H2,1-2H3,(H,9,10)/b5-4-

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12O4
Molecular Weight 172.07
AlogP 0.97
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 63.6
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 924-63-0
NORMAN SUSDAT
FDA SRS 4B4K05YS75
PubChem 6913395
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