AG71200
633320-99-7 | 2-(4,6-Dimethoxypyrimidin-2-yl)cyclohexanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG71200
ChemicalName
2-(4,6-Dimethoxypyrimidin-2-yl)cyclohexanecarboxylic acid
CasNumber
633320-99-7
MolecularFormula
C13H18N2O4
MolecularWeight
266.293
MdlNumber
MFCD01568097
Smiles
COc1cc(OC)nc(n1)C1CCCCC1C(=O)O
Complexity
301
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
Xlogp3
2
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CatalogNumber: AG71200
ChemicalName: 2-(4,6-Dimethoxypyrimidin-2-yl)cyclohexanecarboxylic acid
CasNumber: 633320-99-7
MolecularFormula: C13H18N2O4
MolecularWeight: 266.293
MdlNumber: MFCD01568097
Smiles: COc1cc(OC)nc(n1)C1CCCCC1C(=O)O
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: 2
CatalogNumber:
AG71200
ChemicalName:
2-(4,6-Dimethoxypyrimidin-2-yl)cyclohexanecarboxylic acid
CasNumber:
633320-99-7
MolecularFormula:
C13H18N2O4
MolecularWeight:
266.293
MdlNumber:
MFCD01568097
Smiles:
COc1cc(OC)nc(n1)C1CCCCC1C(=O)O
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
2
CatalogNumber: AG71201
ChemicalName: 3-(Indol-3-yl)propanamine
CasNumber: 6245-89-2
MolecularFormula: C11H14N2
MolecularWeight: 174.2423
MdlNumber: MFCD00130194
Smiles: NCCCc1c[nH]c2c1cccc2
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AG71201
ChemicalName:
3-(Indol-3-yl)propanamine
CasNumber:
6245-89-2
MolecularFormula:
C11H14N2
MolecularWeight:
174.2423
MdlNumber:
MFCD00130194
Smiles:
NCCCc1c[nH]c2c1cccc2
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
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Smiles: OCCN(S(=O)(=O)c1ccccc1)C
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OCCN(S(=O)(=O)c1ccccc1)C
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Smiles: COC(=O)C(Cc1ccccc1)[N+]#[C-]
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Smiles:
COC(=O)C(Cc1ccccc1)[N+]#[C-]
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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