AB69508
3128-06-1 | 4-Acetylbutyric acid
Manufacturer: A2B Chem
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CatalogNumber
AB69508
ChemicalName
4-Acetylbutyric acid
CasNumber
3128-06-1
MolecularFormula
C6H10O3
MolecularWeight
130.1418
MdlNumber
MFCD00004412
Smiles
CC(=O)CCCC(=O)O
NscNumber
5281
Complexity
118
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
-0.3
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CatalogNumber: AB69508
ChemicalName: 4-Acetylbutyric acid
CasNumber: 3128-06-1
MolecularFormula: C6H10O3
MolecularWeight: 130.1418
MdlNumber: MFCD00004412
Smiles: CC(=O)CCCC(=O)O
NscNumber: 5281
Complexity: 118
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: -0.3
CatalogNumber:
AB69508
ChemicalName:
4-Acetylbutyric acid
CasNumber:
3128-06-1
MolecularFormula:
C6H10O3
MolecularWeight:
130.1418
MdlNumber:
MFCD00004412
Smiles:
CC(=O)CCCC(=O)O
NscNumber:
5281
Complexity:
118
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
-0.3
CatalogNumber: AB69509
ChemicalName: 5-Phenoxy-n-valeric acid
CasNumber: 7170-40-3
MolecularFormula: C11H14O3
MolecularWeight: 194.2271
MdlNumber: MFCD02093487
Smiles: OC(=O)CCCCOc1ccccc1
NscNumber: 192711
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2.1
CatalogNumber:
AB69509
ChemicalName:
5-Phenoxy-n-valeric acid
CasNumber:
7170-40-3
MolecularFormula:
C11H14O3
MolecularWeight:
194.2271
MdlNumber:
MFCD02093487
Smiles:
OC(=O)CCCCOc1ccccc1
NscNumber:
192711
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=c1[nH]nc(o1)c1ccccc1
NscNumber: __
Complexity: 221
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
S=c1[nH]nc(o1)c1ccccc1
NscNumber:
__
Complexity:
221
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Sc1n[nH]c(n1)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
Sc1n[nH]c(n1)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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