AB50986
54716-02-8 | Ethyl (2E)-3-(pyrrolidin-1-yl)but-2-enoate
Manufacturer: A2B Chem
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CatalogNumber
AB50986
ChemicalName
Ethyl (2E)-3-(pyrrolidin-1-yl)but-2-enoate
CasNumber
54716-02-8
MolecularFormula
C10H17NO2
MolecularWeight
183.2475
MdlNumber
MFCD00014097
Smiles
CCOC(=O)/C=C(/N1CCCC1)C
Complexity
205
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
1.7
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CatalogNumber: AB50986
ChemicalName: Ethyl (2E)-3-(pyrrolidin-1-yl)but-2-enoate
CasNumber: 54716-02-8
MolecularFormula: C10H17NO2
MolecularWeight: 183.2475
MdlNumber: MFCD00014097
Smiles: CCOC(=O)/C=C(/N1CCCC1)C
Complexity: 205
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AB50986
ChemicalName:
Ethyl (2E)-3-(pyrrolidin-1-yl)but-2-enoate
CasNumber:
54716-02-8
MolecularFormula:
C10H17NO2
MolecularWeight:
183.2475
MdlNumber:
MFCD00014097
Smiles:
CCOC(=O)/C=C(/N1CCCC1)C
Complexity:
205
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]cnc2n1ncc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]cnc2n1ncc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50988
ChemicalName: N-hydroxyacetamide
CasNumber: 546-88-3
MolecularFormula: C2H5NO2
MolecularWeight: 75.0666
MdlNumber: MFCD00009994
Smiles: CC(=O)NO
Complexity: 42.9
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 5
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: -1.6
CatalogNumber:
AB50988
ChemicalName:
N-hydroxyacetamide
CasNumber:
546-88-3
MolecularFormula:
C2H5NO2
MolecularWeight:
75.0666
MdlNumber:
MFCD00009994
Smiles:
CC(=O)NO
Complexity:
42.9
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
5
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
-1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nsc(n1)Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nsc(n1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__