AC92458
72145-01-8 | 3-(3,5-Dimethyl-1h-pyrazol-1-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC92458
ChemicalName
3-(3,5-Dimethyl-1h-pyrazol-1-yl)propanoic acid
CasNumber
72145-01-8
MolecularFormula
C8H12N2O2
MolecularWeight
168.1931
MdlNumber
MFCD00749304
Smiles
Cc1cc(nn1CCC(=O)O)C
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AC92458
ChemicalName: 3-(3,5-Dimethyl-1h-pyrazol-1-yl)propanoic acid
CasNumber: 72145-01-8
MolecularFormula: C8H12N2O2
MolecularWeight: 168.1931
MdlNumber: MFCD00749304
Smiles: Cc1cc(nn1CCC(=O)O)C
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AC92458
ChemicalName:
3-(3,5-Dimethyl-1h-pyrazol-1-yl)propanoic acid
CasNumber:
72145-01-8
MolecularFormula:
C8H12N2O2
MolecularWeight:
168.1931
MdlNumber:
MFCD00749304
Smiles:
Cc1cc(nn1CCC(=O)O)C
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Cc1ccn(n1)CCC(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Cc1ccn(n1)CCC(=O)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: N#CCCC(Cl)(C)C
Complexity: __
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Smiles:
N#CCCC(Cl)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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Smiles: COC(=O)C(C(C)C)CC=C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(C(C)C)CC=C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__