AI54647
664364-75-4 | [1,2]Oxazinane-2-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI54647
ChemicalName
[1,2]Oxazinane-2-carboxylic acid tert-butyl ester
CasNumber
664364-75-4
MolecularFormula
C9H17NO3
MolecularWeight
187.2362
MdlNumber
MFCD21362336
Smiles
O=C(N1CCCCO1)OC(C)(C)C
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AI54647
ChemicalName: [1,2]Oxazinane-2-carboxylic acid tert-butyl ester
CasNumber: 664364-75-4
MolecularFormula: C9H17NO3
MolecularWeight: 187.2362
MdlNumber: MFCD21362336
Smiles: O=C(N1CCCCO1)OC(C)(C)C
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AI54647
ChemicalName:
[1,2]Oxazinane-2-carboxylic acid tert-butyl ester
CasNumber:
664364-75-4
MolecularFormula:
C9H17NO3
MolecularWeight:
187.2362
MdlNumber:
MFCD21362336
Smiles:
O=C(N1CCCCO1)OC(C)(C)C
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: AI54648
ChemicalName: 3-(4-Iodo-3,5-dimethyl-1h-pyrazol-1-yl)propanoic acid
CasNumber: 6645-81-4
MolecularFormula: C8H11IN2O2
MolecularWeight: 294.0896
MdlNumber: MFCD09878862
Smiles: OC(=O)CCn1nc(c(c1C)I)C
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AI54648
ChemicalName:
3-(4-Iodo-3,5-dimethyl-1h-pyrazol-1-yl)propanoic acid
CasNumber:
6645-81-4
MolecularFormula:
C8H11IN2O2
MolecularWeight:
294.0896
MdlNumber:
MFCD09878862
Smiles:
OC(=O)CCn1nc(c(c1C)I)C
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.1
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Smiles: OC(=O)c1sc2c(c1C)c(Cl)ccc2
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Smiles:
OC(=O)c1sc2c(c1C)c(Cl)ccc2
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Smiles: Clc1ccc2c(c1)sc(c2C)C(=O)O
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Smiles:
Clc1ccc2c(c1)sc(c2C)C(=O)O
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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