AC42569
796729-03-8 | 5,6-Dihydro-4h-pyrrolo[1,2-b]pyrazole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC42569
ChemicalName
5,6-Dihydro-4h-pyrrolo[1,2-b]pyrazole-2-carboxylic acid
CasNumber
796729-03-8
MolecularFormula
C7H8N2O2
MolecularWeight
152.1506
MdlNumber
MFCD11846936
Smiles
OC(=O)c1nn2c(c1)CCC2
Complexity
183
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AC42569
ChemicalName: 5,6-Dihydro-4h-pyrrolo[1,2-b]pyrazole-2-carboxylic acid
CasNumber: 796729-03-8
MolecularFormula: C7H8N2O2
MolecularWeight: 152.1506
MdlNumber: MFCD11846936
Smiles: OC(=O)c1nn2c(c1)CCC2
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AC42569
ChemicalName:
5,6-Dihydro-4h-pyrrolo[1,2-b]pyrazole-2-carboxylic acid
CasNumber:
796729-03-8
MolecularFormula:
C7H8N2O2
MolecularWeight:
152.1506
MdlNumber:
MFCD11846936
Smiles:
OC(=O)c1nn2c(c1)CCC2
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5
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Smiles: OP(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(F)c(=O)[nH]c1=O
Complexity: __
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Smiles:
OP(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(F)c(=O)[nH]c1=O
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Smiles: CCCCCCCCCCCCCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
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Smiles:
CCCCCCCCCCCCCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Complexity:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: O=C1CCc2c1ccc(c2)N1CCCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C1CCc2c1ccc(c2)N1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__