AI43354
193085-24-4 | 2-(1-Boc-piperidin-4-ylidene)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI43354
ChemicalName
2-(1-Boc-piperidin-4-ylidene)acetic acid
CasNumber
193085-24-4
MolecularFormula
C12H19NO4
MolecularWeight
241.2836
MdlNumber
MFCD09910424
Smiles
O=C(N1CCC(=CC(=O)O)CC1)OC(C)(C)C
Complexity
331
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AI43354
ChemicalName: 2-(1-Boc-piperidin-4-ylidene)acetic acid
CasNumber: 193085-24-4
MolecularFormula: C12H19NO4
MolecularWeight: 241.2836
MdlNumber: MFCD09910424
Smiles: O=C(N1CCC(=CC(=O)O)CC1)OC(C)(C)C
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AI43354
ChemicalName:
2-(1-Boc-piperidin-4-ylidene)acetic acid
CasNumber:
193085-24-4
MolecularFormula:
C12H19NO4
MolecularWeight:
241.2836
MdlNumber:
MFCD09910424
Smiles:
O=C(N1CCC(=CC(=O)O)CC1)OC(C)(C)C
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)CC(N(C(=O)OCC1c2ccccc2c2c1cccc2)C)C(=O)O
Complexity: 624
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)CC(N(C(=O)OCC1c2ccccc2c2c1cccc2)C)C(=O)O
Complexity:
624
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.8
CatalogNumber: AI43356
ChemicalName: 4-Amino-2,3-dichlorobenzonitrile
CasNumber: 193090-61-8
MolecularFormula: C7H4Cl2N2
MolecularWeight: 187.0261
MdlNumber: MFCD20720875
Smiles: N#Cc1ccc(c(c1Cl)Cl)N
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
AI43356
ChemicalName:
4-Amino-2,3-dichlorobenzonitrile
CasNumber:
193090-61-8
MolecularFormula:
C7H4Cl2N2
MolecularWeight:
187.0261
MdlNumber:
MFCD20720875
Smiles:
N#Cc1ccc(c(c1Cl)Cl)N
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(NC(=O)c1ccccc1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(NC(=O)c1ccccc1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__