AI05605
1022158-36-6 | 1-(Tetrahydro-2H-pyran-2-yl)-1H-indazole-4-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AI05605
ChemicalName
1-(Tetrahydro-2H-pyran-2-yl)-1H-indazole-4-carbaldehyde
CasNumber
1022158-36-6
MolecularFormula
C13H14N2O2
MolecularWeight
230.2625
MdlNumber
MFCD22380290
Smiles
O=Cc1cccc2c1cnn2C1CCCCO1
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.8
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CatalogNumber: AI05605
ChemicalName: 1-(Tetrahydro-2H-pyran-2-yl)-1H-indazole-4-carbaldehyde
CasNumber: 1022158-36-6
MolecularFormula: C13H14N2O2
MolecularWeight: 230.2625
MdlNumber: MFCD22380290
Smiles: O=Cc1cccc2c1cnn2C1CCCCO1
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.8
CatalogNumber:
AI05605
ChemicalName:
1-(Tetrahydro-2H-pyran-2-yl)-1H-indazole-4-carbaldehyde
CasNumber:
1022158-36-6
MolecularFormula:
C13H14N2O2
MolecularWeight:
230.2625
MdlNumber:
MFCD22380290
Smiles:
O=Cc1cccc2c1cnn2C1CCCCO1
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.8
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Smiles: N[C@@H]1CC[C@H](CC1)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
N[C@@H]1CC[C@H](CC1)C(=O)OC(C)(C)C
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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Smiles: O=C(c1c(=O)oc2c(c1O)cccc2)/C=C/c1ccc(cc1)N(C)C
Complexity: __
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HeavyAtomCount: __
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Smiles:
O=C(c1c(=O)oc2c(c1O)cccc2)/C=C/c1ccc(cc1)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: COc1ccc(cc1)/C=C/C(=O)c1c(=O)oc2c(c1O)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(cc1)/C=C/C(=O)c1c(=O)oc2c(c1O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__