AB44016
6283-71-2 | 2-Cyanosuccinic acid dimethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB44016
ChemicalName
2-Cyanosuccinic acid dimethyl ester
CasNumber
6283-71-2
MolecularFormula
C7H9NO4
MolecularWeight
171.1507
MdlNumber
MFCD01760090
Smiles
COC(=O)CC(C(=O)OC)C#N
NscNumber
7708
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
-0.1
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CatalogNumber: AB44016
ChemicalName: 2-Cyanosuccinic acid dimethyl ester
CasNumber: 6283-71-2
MolecularFormula: C7H9NO4
MolecularWeight: 171.1507
MdlNumber: MFCD01760090
Smiles: COC(=O)CC(C(=O)OC)C#N
NscNumber: 7708
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.1
CatalogNumber:
AB44016
ChemicalName:
2-Cyanosuccinic acid dimethyl ester
CasNumber:
6283-71-2
MolecularFormula:
C7H9NO4
MolecularWeight:
171.1507
MdlNumber:
MFCD01760090
Smiles:
COC(=O)CC(C(=O)OC)C#N
NscNumber:
7708
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNCCC#N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNCCC#N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB44019
ChemicalName: 2-Cyanopyridine-4-boronic acid pinacol ester
CasNumber: 741709-62-6
MolecularFormula: C12H15BN2O2
MolecularWeight: 230.0707
MdlNumber: MFCD09607734
Smiles: N#Cc1nccc(c1)B1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB44019
ChemicalName:
2-Cyanopyridine-4-boronic acid pinacol ester
CasNumber:
741709-62-6
MolecularFormula:
C12H15BN2O2
MolecularWeight:
230.0707
MdlNumber:
MFCD09607734
Smiles:
N#Cc1nccc(c1)B1OC(C(O1)(C)C)(C)C
NscNumber:
__
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCC=C1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCCC=C1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__