AB30577
2637-76-5 | 1-Acetylpiperidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB30577
ChemicalName
1-Acetylpiperidine-3-carboxylic acid
CasNumber
2637-76-5
MolecularFormula
C8H13NO3
MolecularWeight
171.1937
MdlNumber
MFCD07348751
Smiles
OC(=O)C1CCCN(C1)C(=O)C
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.3
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CatalogNumber: AB30577
ChemicalName: 1-Acetylpiperidine-3-carboxylic acid
CasNumber: 2637-76-5
MolecularFormula: C8H13NO3
MolecularWeight: 171.1937
MdlNumber: MFCD07348751
Smiles: OC(=O)C1CCCN(C1)C(=O)C
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.3
CatalogNumber:
AB30577
ChemicalName:
1-Acetylpiperidine-3-carboxylic acid
CasNumber:
2637-76-5
MolecularFormula:
C8H13NO3
MolecularWeight:
171.1937
MdlNumber:
MFCD07348751
Smiles:
OC(=O)C1CCCN(C1)C(=O)C
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C1CCCN(C1)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1CCCN(C1)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=c1ccc2c([nH]1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=c1ccc2c([nH]1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB30581
ChemicalName: 2-pyridinethiol
CasNumber: 2637-34-5
MolecularFormula: C5H5NS
MolecularWeight: 111.1649
MdlNumber: MFCD00006285
Smiles: S=c1cccc[nH]1
Complexity: 135
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.1
CatalogNumber:
AB30581
ChemicalName:
2-pyridinethiol
CasNumber:
2637-34-5
MolecularFormula:
C5H5NS
MolecularWeight:
111.1649
MdlNumber:
MFCD00006285
Smiles:
S=c1cccc[nH]1
Complexity:
135
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.1