AB46038
37842-58-3 | Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)
Manufacturer: A2B Chem
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CatalogNumber
AB46038
ChemicalName
Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)
CasNumber
37842-58-3
MolecularFormula
C12H16N2O5S
MolecularWeight
300.3308
MdlNumber
MFCD00666813
Smiles
Cc1ccc(cc1)S(=O)(=O)O.CCOC(=O)C(C#N)N
NscNumber
150033
Complexity
353
Covalently-bondedUnitCount
2
HeavyAtomCount
20
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
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CatalogNumber: AB46038
ChemicalName: Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)
CasNumber: 37842-58-3
MolecularFormula: C12H16N2O5S
MolecularWeight: 300.3308
MdlNumber: MFCD00666813
Smiles: Cc1ccc(cc1)S(=O)(=O)O.CCOC(=O)C(C#N)N
NscNumber: 150033
Complexity: 353
Covalently-bondedUnitCount: 2
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AB46038
ChemicalName:
Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)
CasNumber:
37842-58-3
MolecularFormula:
C12H16N2O5S
MolecularWeight:
300.3308
MdlNumber:
MFCD00666813
Smiles:
Cc1ccc(cc1)S(=O)(=O)O.CCOC(=O)C(C#N)N
NscNumber:
150033
Complexity:
353
Covalently-bondedUnitCount:
2
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
CatalogNumber: AB46039
ChemicalName: Ethyl 2-(2-aminothiazol-4-yl)acetate
CasNumber: 53266-94-7
MolecularFormula: C7H10N2O2S
MolecularWeight: 186.2315
MdlNumber: MFCD00005330
Smiles: CCOC(=O)Cc1csc(n1)N
NscNumber: __
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
CatalogNumber:
AB46039
ChemicalName:
Ethyl 2-(2-aminothiazol-4-yl)acetate
CasNumber:
53266-94-7
MolecularFormula:
C7H10N2O2S
MolecularWeight:
186.2315
MdlNumber:
MFCD00005330
Smiles:
CCOC(=O)Cc1csc(n1)N
NscNumber:
__
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
CatalogNumber: AB46040
ChemicalName: Ethyl 2-(benzyloxy)acetate
CasNumber: 32122-09-1
MolecularFormula: C11H14O3
MolecularWeight: 194.2271
MdlNumber: MFCD06204614
Smiles: CCOC(=O)COCc1ccccc1
NscNumber: 153412
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 6
UndefinedAtomStereocenterCount: __
CatalogNumber:
AB46040
ChemicalName:
Ethyl 2-(benzyloxy)acetate
CasNumber:
32122-09-1
MolecularFormula:
C11H14O3
MolecularWeight:
194.2271
MdlNumber:
MFCD06204614
Smiles:
CCOC(=O)COCc1ccccc1
NscNumber:
153412
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC(C(=O)OCC)Br
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCC(C(=O)OCC)Br
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__