AE08522
1117-37-9 | Ethyl trans-3-(N,N-dimethylamino)acrylate
Manufacturer: A2B Chem
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CatalogNumber
AE08522
ChemicalName
Ethyl trans-3-(N,N-dimethylamino)acrylate
CasNumber
1117-37-9
MolecularFormula
C7H13NO2
MolecularWeight
143.1836
MdlNumber
MFCD00144269
Smiles
CCOC(=O)/C=C/N(C)C
Complexity
130
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
0.8
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CatalogNumber: AE08522
ChemicalName: Ethyl trans-3-(N,N-dimethylamino)acrylate
CasNumber: 1117-37-9
MolecularFormula: C7H13NO2
MolecularWeight: 143.1836
MdlNumber: MFCD00144269
Smiles: CCOC(=O)/C=C/N(C)C
Complexity: 130
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 0.8
CatalogNumber:
AE08522
ChemicalName:
Ethyl trans-3-(N,N-dimethylamino)acrylate
CasNumber:
1117-37-9
MolecularFormula:
C7H13NO2
MolecularWeight:
143.1836
MdlNumber:
MFCD00144269
Smiles:
CCOC(=O)/C=C/N(C)C
Complexity:
130
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: [CH2]OC1=[C]C(=C([C]=[C]1)[O])[C](=C)([CH2])[CH2]
Complexity: __
Covalently-bondedUnitCount: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
[CH2]OC1=[C]C(=C([C]=[C]1)[O])[C](=C)([CH2])[CH2]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)CCC)C3(C)C)C=C(C[C@]1([C@H]2C=C(C1=O)C)O)C=O
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)CCC)C3(C)C)C=C(C[C@]1([C@H]2C=C(C1=O)C)O)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: CCCCCC=CCC=CCCCCCCCC(=O)OC[C@]1(O)C[C@@]23C[C@@H]1CCC3[C@@]1([C@@H](CC2)c2ccoc2C=C1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
CCCCCC=CCC=CCCCCCCCC(=O)OC[C@]1(O)C[C@@]23C[C@@H]1CCC3[C@@]1([C@@H](CC2)c2ccoc2C=C1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__