2-PROPENOIC ACID, 2-METHYL-, 2-HYDROXYETHYL ESTER, POLYMER WITH BUTYL 2-PROPENOATE, METHYL 2-METHYL-2-PROPENOATE AND 2-PROPENOIC ACID

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key FEUFEGJTJIHPOF-UHFFFAOYSA-N
Smiles CCCCC(=C)C([O-])=O.COC(=O)C(C)=C.CC(=C)C(=O)OCCO.OC(=O)C=C;CCCCC(=C)C(O)=O.CC(=C)C(=O)OCCO.C=Cc1ccccc1;CCCCC(=C)C(O)=O.CC(=C)C(=O)OCCO.OC(=O)C=C.C=Cc1ccccc1;CCCCC(=C)C(O)=O.COC(=O)C(C)=C.OC(=O)C=C.C=Cc1ccccc1;CCCCC(=C)C(O)=O.COC(=O)C(C)=C.CC(O)COC(=O)C(C)=C.OC(=O)C=C.C=Cc1ccccc1;CCCCC(=C)C(O)=O.COC(=O)C(C)=C.CC(=C)C(=O)OCCO.OC(=O)C=C.C=Cc1ccccc1;[NH4+].CCCCC(=C)C(O)=O.CC(=C)C([O-])=O.C=Cc1ccccc1;CCCCCCCCCCCCOC(=O)C(C)=C.CCCCC(=C)C(O)=O;CCCCC(=C)C(O)=O.COC(=O)C(C)=C.CC(=C)C(=O)OCCO.CC(=C)c1ccccc1.C=Cc2ccccc2
InChI
InChI=1S/C7H12O2/c1-3-4-5-6(2)7(8)9/h2-5H2,1H3,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H12O2
Molecular Weight 128.08
AlogP 1.82
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 37.3
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 26351-99-5
NORMAN SUSDAT
CONTENTS