AB49043
487048-28-2 | Boc-cis-4-cyano-l-proline methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB49043
ChemicalName
Boc-cis-4-cyano-l-proline methyl ester
CasNumber
487048-28-2
MolecularFormula
C12H18N2O4
MolecularWeight
254.2823
MdlNumber
MFCD03787928
Smiles
N#C[C@@H]1CN([C@@H](C1)C(=O)OC)C(=O)OC(C)(C)C
Complexity
391
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
0.9
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CatalogNumber: AB49043
ChemicalName: Boc-cis-4-cyano-l-proline methyl ester
CasNumber: 487048-28-2
MolecularFormula: C12H18N2O4
MolecularWeight: 254.2823
MdlNumber: MFCD03787928
Smiles: N#C[C@@H]1CN([C@@H](C1)C(=O)OC)C(=O)OC(C)(C)C
Complexity: 391
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AB49043
ChemicalName:
Boc-cis-4-cyano-l-proline methyl ester
CasNumber:
487048-28-2
MolecularFormula:
C12H18N2O4
MolecularWeight:
254.2823
MdlNumber:
MFCD03787928
Smiles:
N#C[C@@H]1CN([C@@H](C1)C(=O)OC)C(=O)OC(C)(C)C
Complexity:
391
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCCCCCC(=O)N
Complexity: 228
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 7.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCCCCCC(=O)N
Complexity:
228
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
7.9
CatalogNumber: AB49045
ChemicalName: 3-Chloro-4-hydroxyphenylboronic acid, pinacol ester
CasNumber: 629658-06-6
MolecularFormula: C12H16BClO3
MolecularWeight: 254.5176
MdlNumber: MFCD09260490
Smiles: Oc1ccc(cc1Cl)B1OC(C(O1)(C)C)(C)C
Complexity: 280
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB49045
ChemicalName:
3-Chloro-4-hydroxyphenylboronic acid, pinacol ester
CasNumber:
629658-06-6
MolecularFormula:
C12H16BClO3
MolecularWeight:
254.5176
MdlNumber:
MFCD09260490
Smiles:
Oc1ccc(cc1Cl)B1OC(C(O1)(C)C)(C)C
Complexity:
280
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCC(CC1C)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCC(CC1C)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__