AC23402
84437-12-7 | Methyl 5-cyano-2-hydroxy-benzate
Manufacturer: A2B Chem
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CatalogNumber
AC23402
ChemicalName
Methyl 5-cyano-2-hydroxy-benzate
CasNumber
84437-12-7
MolecularFormula
C9H7NO3
MolecularWeight
177.1568
MdlNumber
MFCD00800949
Smiles
COC(=O)c1cc(C#N)ccc1O
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AC23402
ChemicalName: Methyl 5-cyano-2-hydroxy-benzate
CasNumber: 84437-12-7
MolecularFormula: C9H7NO3
MolecularWeight: 177.1568
MdlNumber: MFCD00800949
Smiles: COC(=O)c1cc(C#N)ccc1O
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AC23402
ChemicalName:
Methyl 5-cyano-2-hydroxy-benzate
CasNumber:
84437-12-7
MolecularFormula:
C9H7NO3
MolecularWeight:
177.1568
MdlNumber:
MFCD00800949
Smiles:
COC(=O)c1cc(C#N)ccc1O
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)O.NN=CNc1ccc(cc1)C(=O)Oc1ccc(cc1C(=O)c1ccccc1)C=NN
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)O.NN=CNc1ccc(cc1)C(=O)Oc1ccc(cc1C(=O)c1ccccc1)C=NN
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCCCCC(OC=O)CC
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
CCCCCC(OC=O)CC
Complexity:
__
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: O=C(C1(Cl)CCCCC1)C1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C1(Cl)CCCCC1)C1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__