AC18968
84182-47-8 | Cis-3-(benzyloxy)cyclobutanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC18968
ChemicalName
Cis-3-(benzyloxy)cyclobutanecarboxylic acid
CasNumber
84182-47-8
MolecularFormula
C12H14O3
MolecularWeight
206.2378
MdlNumber
MFCD16038555
Smiles
OC(=O)[C@@H]1C[C@@H](C1)OCc1ccccc1
Complexity
215
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.7
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CatalogNumber: AC18968
ChemicalName: Cis-3-(benzyloxy)cyclobutanecarboxylic acid
CasNumber: 84182-47-8
MolecularFormula: C12H14O3
MolecularWeight: 206.2378
MdlNumber: MFCD16038555
Smiles: OC(=O)[C@@H]1C[C@@H](C1)OCc1ccccc1
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AC18968
ChemicalName:
Cis-3-(benzyloxy)cyclobutanecarboxylic acid
CasNumber:
84182-47-8
MolecularFormula:
C12H14O3
MolecularWeight:
206.2378
MdlNumber:
MFCD16038555
Smiles:
OC(=O)[C@@H]1C[C@@H](C1)OCc1ccccc1
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.7
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Smiles: COc1cc(NC(=O)CC(=O)C)c(cc1NC(=O)C)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1cc(NC(=O)CC(=O)C)c(cc1NC(=O)C)Cl
Complexity:
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: [O-][n+]1ccc(cc1c1nccc(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity: __
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Smiles:
[O-][n+]1ccc(cc1c1nccc(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
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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: Fc1ccc2c(c1)onc2C1CCNCC1
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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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:
Fc1ccc2c(c1)onc2C1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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