AG69532
608-40-2 | trans-2,3-Dimethylsuccinic acid
Manufacturer: A2B Chem
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CatalogNumber
AG69532
ChemicalName
trans-2,3-Dimethylsuccinic acid
CasNumber
608-40-2
MolecularFormula
C6H10O4
MolecularWeight
146.1412
MdlNumber
MFCD00064229
Smiles
C[C@H]([C@@H](C(=O)O)C)C(=O)O
Complexity
134
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.4
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CatalogNumber: AG69532
ChemicalName: trans-2,3-Dimethylsuccinic acid
CasNumber: 608-40-2
MolecularFormula: C6H10O4
MolecularWeight: 146.1412
MdlNumber: MFCD00064229
Smiles: C[C@H]([C@@H](C(=O)O)C)C(=O)O
Complexity: 134
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AG69532
ChemicalName:
trans-2,3-Dimethylsuccinic acid
CasNumber:
608-40-2
MolecularFormula:
C6H10O4
MolecularWeight:
146.1412
MdlNumber:
MFCD00064229
Smiles:
C[C@H]([C@@H](C(=O)O)C)C(=O)O
Complexity:
134
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: AG69533
ChemicalName: Iron(iii) trifluoromethanesulfonate
CasNumber: 63295-48-7
MolecularFormula: C3F9FeO9S3
MolecularWeight: 503.0523287999998
MdlNumber: MFCD15144785
Smiles: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Fe+3]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AG69533
ChemicalName:
Iron(iii) trifluoromethanesulfonate
CasNumber:
63295-48-7
MolecularFormula:
C3F9FeO9S3
MolecularWeight:
503.0523287999998
MdlNumber:
MFCD15144785
Smiles:
FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Fe+3]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNc1c(C)cccc1C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNc1c(C)cccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ncc(s1)CN
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ncc(s1)CN
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__