AE12078
1081559-36-5 | 3-Oxocyclobutyl benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE12078
ChemicalName
3-Oxocyclobutyl benzoate
CasNumber
1081559-36-5
MolecularFormula
C11H10O3
MolecularWeight
190.1953
MdlNumber
MFCD16140376
Smiles
O=C(c1ccccc1)OC1CC(=O)C1
Complexity
233
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AE12078
ChemicalName: 3-Oxocyclobutyl benzoate
CasNumber: 1081559-36-5
MolecularFormula: C11H10O3
MolecularWeight: 190.1953
MdlNumber: MFCD16140376
Smiles: O=C(c1ccccc1)OC1CC(=O)C1
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AE12078
ChemicalName:
3-Oxocyclobutyl benzoate
CasNumber:
1081559-36-5
MolecularFormula:
C11H10O3
MolecularWeight:
190.1953
MdlNumber:
MFCD16140376
Smiles:
O=C(c1ccccc1)OC1CC(=O)C1
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: AE12079
ChemicalName: Methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CasNumber: 1053656-37-3
MolecularFormula: C8H5Cl2N3O2
MolecularWeight: 246.05020000000005
MdlNumber: MFCD10566316
Smiles: COC(=O)c1cnn2c1nc(Cl)cc2Cl
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AE12079
ChemicalName:
Methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CasNumber:
1053656-37-3
MolecularFormula:
C8H5Cl2N3O2
MolecularWeight:
246.05020000000005
MdlNumber:
MFCD10566316
Smiles:
COC(=O)c1cnn2c1nc(Cl)cc2Cl
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.1
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Smiles: OC(C[N+](C)(C)C)COc1cc2c(c(c1C)C)sc1c(c2=O)cccc1.[Cl-]
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Smiles:
OC(C[N+](C)(C)C)COc1cc2c(c(c1C)C)sc1c(c2=O)cccc1.[Cl-]
Complexity:
__
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Smiles: O=Cc1c[nH]nc1c1cccnc1
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Smiles:
O=Cc1c[nH]nc1c1cccnc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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