AB33521
29006-02-8 | 4-Methoxybutanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB33521
ChemicalName
4-Methoxybutanoic acid
CasNumber
29006-02-8
MolecularFormula
C5H10O3
MolecularWeight
118.1311
MdlNumber
MFCD00029855
Smiles
COCCCC(=O)O
Complexity
70.1
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
-0.1
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CatalogNumber: AB33521
ChemicalName: 4-Methoxybutanoic acid
CasNumber: 29006-02-8
MolecularFormula: C5H10O3
MolecularWeight: 118.1311
MdlNumber: MFCD00029855
Smiles: COCCCC(=O)O
Complexity: 70.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.1
CatalogNumber:
AB33521
ChemicalName:
4-Methoxybutanoic acid
CasNumber:
29006-02-8
MolecularFormula:
C5H10O3
MolecularWeight:
118.1311
MdlNumber:
MFCD00029855
Smiles:
COCCCC(=O)O
Complexity:
70.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.1
CatalogNumber: AB33522
ChemicalName: Methyl 4-methoxybutanoate
CasNumber: 29006-01-7
MolecularFormula: C6H12O3
MolecularWeight: 132.1577
MdlNumber: MFCD05865184
Smiles: COCCCC(=O)OC
Complexity: 80.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 0.6
CatalogNumber:
AB33522
ChemicalName:
Methyl 4-methoxybutanoate
CasNumber:
29006-01-7
MolecularFormula:
C6H12O3
MolecularWeight:
132.1577
MdlNumber:
MFCD05865184
Smiles:
COCCCC(=O)OC
Complexity:
80.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])n1nc(c(n1)[N+](=O)[O-])C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])n1nc(c(n1)[N+](=O)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCc1c(CCl)c(C)c(c(c1C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCc1c(CCl)c(C)c(c(c1C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__