AX24203
172588-04-4 | (S)-8-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)isochroman-1-one
Manufacturer: A2B Chem
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CatalogNumber
AX24203
ChemicalName
(S)-8-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)isochroman-1-one
CasNumber
172588-04-4
MolecularFormula
C16H14O5
MolecularWeight
286.2794
MdlNumber
MFCD28991881
Smiles
COc1ccc(cc1O)[C@H]1OC(=O)c2c(C1)cccc2O
Complexity
385
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AX24203
ChemicalName: (S)-8-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)isochroman-1-one
CasNumber: 172588-04-4
MolecularFormula: C16H14O5
MolecularWeight: 286.2794
MdlNumber: MFCD28991881
Smiles: COc1ccc(cc1O)[C@H]1OC(=O)c2c(C1)cccc2O
Complexity: 385
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AX24203
ChemicalName:
(S)-8-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)isochroman-1-one
CasNumber:
172588-04-4
MolecularFormula:
C16H14O5
MolecularWeight:
286.2794
MdlNumber:
MFCD28991881
Smiles:
COc1ccc(cc1O)[C@H]1OC(=O)c2c(C1)cccc2O
Complexity:
385
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
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Smiles: CCOC(=O)[C@@H]1CN(C[C@H]1C(=O)O)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
CCOC(=O)[C@@H]1CN(C[C@H]1C(=O)O)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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RotatableBondCount:
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Smiles: NC1CCC2(C1)CCN(CC2)C(=O)OCc1ccccc1
Complexity: __
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Smiles:
NC1CCC2(C1)CCN(CC2)C(=O)OCc1ccccc1
Complexity:
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DefinedAtomStereocenterCount:
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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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Smiles: CC1CC1CO
Complexity: __
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Smiles:
CC1CC1CO
Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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