AA19386
114736-25-3 | (E)-Ethyl 4,4-dimethoxybut-2-enoate
Manufacturer: A2B Chem
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CatalogNumber
AA19386
ChemicalName
(E)-Ethyl 4,4-dimethoxybut-2-enoate
CasNumber
114736-25-3
MolecularFormula
C8H14O4
MolecularWeight
174.1944
MdlNumber
MFCD06204472
Smiles
CCOC(=O)/C=C/C(OC)OC
Complexity
149
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
6
Xlogp3
0.6
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CatalogNumber: AA19386
ChemicalName: (E)-Ethyl 4,4-dimethoxybut-2-enoate
CasNumber: 114736-25-3
MolecularFormula: C8H14O4
MolecularWeight: 174.1944
MdlNumber: MFCD06204472
Smiles: CCOC(=O)/C=C/C(OC)OC
Complexity: 149
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 0.6
CatalogNumber:
AA19386
ChemicalName:
(E)-Ethyl 4,4-dimethoxybut-2-enoate
CasNumber:
114736-25-3
MolecularFormula:
C8H14O4
MolecularWeight:
174.1944
MdlNumber:
MFCD06204472
Smiles:
CCOC(=O)/C=C/C(OC)OC
Complexity:
149
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
0.6
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Smiles: OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(c(c1)C)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
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Smiles:
OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(c(c1)C)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
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RotatableBondCount:
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Smiles: OCCCCCCNC(c1ccc(cc1)OC)(c1ccccc1)c1ccccc1
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Smiles:
OCCCCCCNC(c1ccc(cc1)OC)(c1ccccc1)c1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
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