AI12014
1186688-44-7 | Benzyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI12014
ChemicalName
Benzyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
CasNumber
1186688-44-7
MolecularFormula
C15H21NO5
MolecularWeight
295.3309
MdlNumber
MFCD29917063
Smiles
COC1(OC)CCN(CC1O)C(=O)OCc1ccccc1
Complexity
339
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
0.8
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CatalogNumber: AI12014
ChemicalName: Benzyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
CasNumber: 1186688-44-7
MolecularFormula: C15H21NO5
MolecularWeight: 295.3309
MdlNumber: MFCD29917063
Smiles: COC1(OC)CCN(CC1O)C(=O)OCc1ccccc1
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.8
CatalogNumber:
AI12014
ChemicalName:
Benzyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
CasNumber:
1186688-44-7
MolecularFormula:
C15H21NO5
MolecularWeight:
295.3309
MdlNumber:
MFCD29917063
Smiles:
COC1(OC)CCN(CC1O)C(=O)OCc1ccccc1
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CNCCC1(F)F.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CNCCC1(F)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI12016
ChemicalName: Ethyl 3-(methylsulfonyl)propanoate
CasNumber: 118675-14-2
MolecularFormula: C6H12O4S
MolecularWeight: 180.2221
MdlNumber: MFCD12776525
Smiles: CCOC(=O)CCS(=O)(=O)C
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: -0.2
CatalogNumber:
AI12016
ChemicalName:
Ethyl 3-(methylsulfonyl)propanoate
CasNumber:
118675-14-2
MolecularFormula:
C6H12O4S
MolecularWeight:
180.2221
MdlNumber:
MFCD12776525
Smiles:
CCOC(=O)CCS(=O)(=O)C
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.2
CatalogNumber: AI12017
ChemicalName: N-Methylacrylamide
CasNumber: 1187-59-3
MolecularFormula: C4H7NO
MolecularWeight: 85.1045
MdlNumber: MFCD00053693
Smiles: CNC(=O)C=C
Complexity: 67.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 0.1
CatalogNumber:
AI12017
ChemicalName:
N-Methylacrylamide
CasNumber:
1187-59-3
MolecularFormula:
C4H7NO
MolecularWeight:
85.1045
MdlNumber:
MFCD00053693
Smiles:
CNC(=O)C=C
Complexity:
67.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.1