AB44038
5343-52-2 | 2-Ethyl-2-methylpentanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44038
ChemicalName
2-Ethyl-2-methylpentanoic acid
CasNumber
5343-52-2
MolecularFormula
C8H16O2
MolecularWeight
144.2114
MdlNumber
MFCD01675509
Smiles
CCCC(C(=O)O)(CC)C
NscNumber
466
Complexity
120
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.4
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CatalogNumber: AB44038
ChemicalName: 2-Ethyl-2-methylpentanoic acid
CasNumber: 5343-52-2
MolecularFormula: C8H16O2
MolecularWeight: 144.2114
MdlNumber: MFCD01675509
Smiles: CCCC(C(=O)O)(CC)C
NscNumber: 466
Complexity: 120
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.4
CatalogNumber:
AB44038
ChemicalName:
2-Ethyl-2-methylpentanoic acid
CasNumber:
5343-52-2
MolecularFormula:
C8H16O2
MolecularWeight:
144.2114
MdlNumber:
MFCD01675509
Smiles:
CCCC(C(=O)O)(CC)C
NscNumber:
466
Complexity:
120
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(CC(C)C)CO
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(CC(C)C)CO
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB44040
ChemicalName: 2-Ethyl-5-nitrobenzenamine
CasNumber: 20191-74-6
MolecularFormula: C8H10N2O2
MolecularWeight: 166.1772
MdlNumber: MFCD00034056
Smiles: CCc1ccc(cc1N)[N+](=O)[O-]
NscNumber: __
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.3
CatalogNumber:
AB44040
ChemicalName:
2-Ethyl-5-nitrobenzenamine
CasNumber:
20191-74-6
MolecularFormula:
C8H10N2O2
MolecularWeight:
166.1772
MdlNumber:
MFCD00034056
Smiles:
CCc1ccc(cc1N)[N+](=O)[O-]
NscNumber:
__
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(=C)C=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=C)C=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__