AC72216
70526-11-3 | ethyl (2E)-3-(pyridin-2-yl)prop-2-enoate
Manufacturer: A2B Chem
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CatalogNumber
AC72216
ChemicalName
ethyl (2E)-3-(pyridin-2-yl)prop-2-enoate
CasNumber
70526-11-3
MolecularFormula
C10H11NO2
MolecularWeight
177.19984000000002
MdlNumber
MFCD16140351
Smiles
CCOC(=O)/C=C/c1ccccn1
NscNumber
643039
Complexity
189
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
1.5
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CatalogNumber: AC72216
ChemicalName: ethyl (2E)-3-(pyridin-2-yl)prop-2-enoate
CasNumber: 70526-11-3
MolecularFormula: C10H11NO2
MolecularWeight: 177.19984000000002
MdlNumber: MFCD16140351
Smiles: CCOC(=O)/C=C/c1ccccn1
NscNumber: 643039
Complexity: 189
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AC72216
ChemicalName:
ethyl (2E)-3-(pyridin-2-yl)prop-2-enoate
CasNumber:
70526-11-3
MolecularFormula:
C10H11NO2
MolecularWeight:
177.19984000000002
MdlNumber:
MFCD16140351
Smiles:
CCOC(=O)/C=C/c1ccccn1
NscNumber:
643039
Complexity:
189
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
1.5
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Smiles: COc1ccc(cc1)C#CC(=O)c1cccc(c1)OC
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Complexity: __
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Smiles:
COc1ccc(cc1)C#CC(=O)c1cccc(c1)OC
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Smiles: C#CCC1(CCCCC1)C(=O)Cl
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Smiles:
C#CCC1(CCCCC1)C(=O)Cl
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC(C[C@@H](C(=O)O)NC(=O)N[C@H](C(=O)O)CCC(=O)O)C
NscNumber: __
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(C[C@@H](C(=O)O)NC(=O)N[C@H](C(=O)O)CCC(=O)O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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