AB21849
2309-07-1 | Methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
Manufacturer: A2B Chem
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CatalogNumber
AB21849
ChemicalName
Methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
CasNumber
2309-07-1
MolecularFormula
C11H12O4
MolecularWeight
208.2106
MdlNumber
MFCD00017208
Smiles
COC(=O)C=Cc1ccc(c(c1)OC)O
NscNumber
74548
Complexity
237
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.8
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CatalogNumber: AB21849
ChemicalName: Methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
CasNumber: 2309-07-1
MolecularFormula: C11H12O4
MolecularWeight: 208.2106
MdlNumber: MFCD00017208
Smiles: COC(=O)C=Cc1ccc(c(c1)OC)O
NscNumber: 74548
Complexity: 237
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AB21849
ChemicalName:
Methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
CasNumber:
2309-07-1
MolecularFormula:
C11H12O4
MolecularWeight:
208.2106
MdlNumber:
MFCD00017208
Smiles:
COC(=O)C=Cc1ccc(c(c1)OC)O
NscNumber:
74548
Complexity:
237
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.8
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Smiles: CC(=O)OCC1O[C@@H]2OC(OC2C([C@H]1OC(=O)C)OC(=O)C)(C)OCC1O[C@H]2OC(OC2C([C@@H]1OC(=O)C)OC1(C)OC2[C@H](O1)OC([C@H](C2OC(=O)C)OC(=O)C)COC(=O)C)C
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Smiles:
CC(=O)OCC1O[C@@H]2OC(OC2C([C@H]1OC(=O)C)OC(=O)C)(C)OCC1O[C@H]2OC(OC2C([C@@H]1OC(=O)C)OC1(C)OC2[C@H](O1)OC([C@H](C2OC(=O)C)OC(=O)C)COC(=O)C)C
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RotatableBondCount:
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Smiles: OC[C@H]1O[C@H]2OC(O[C@H]2[C@H]([C@@H]1O)O)(C)OC[C@H]1O[C@H]2OC(O[C@H]2[C@H]([C@@H]1O)OC1(C)O[C@@H]2[C@H](O1)O[C@@H]([C@H]([C@@H]2O)O)CO)(C)C
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Smiles:
OC[C@H]1O[C@H]2OC(O[C@H]2[C@H]([C@@H]1O)O)(C)OC[C@H]1O[C@H]2OC(O[C@H]2[C@H]([C@@H]1O)OC1(C)O[C@@H]2[C@H](O1)O[C@@H]([C@H]([C@@H]2O)O)CO)(C)C
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COC[C@H](c1ccccc1)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](CC(=O)O)CCCc1ccc(c(c1)C)c1ccccc1
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Smiles:
COC[C@H](c1ccccc1)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](CC(=O)O)CCCc1ccc(c(c1)C)c1ccccc1
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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