AH12465
6902-77-8 | methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AH12465
ChemicalName
methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate
CasNumber
6902-77-8
MolecularFormula
C11H14O5
MolecularWeight
226.2259
MdlNumber
MFCD00888600
Smiles
COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O
Complexity
357
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-0.7
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CatalogNumber: AH12465
ChemicalName: methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate
CasNumber: 6902-77-8
MolecularFormula: C11H14O5
MolecularWeight: 226.2259
MdlNumber: MFCD00888600
Smiles: COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O
Complexity: 357
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -0.7
CatalogNumber:
AH12465
ChemicalName:
methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate
CasNumber:
6902-77-8
MolecularFormula:
C11H14O5
MolecularWeight:
226.2259
MdlNumber:
MFCD00888600
Smiles:
COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O
Complexity:
357
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-0.7
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Smiles: OC(c1ccc(cc1)O)C(=O)[O-].[Na+]
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OC(c1ccc(cc1)O)C(=O)[O-].[Na+]
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Smiles: OC[C@H]1[C@H](OC2CCCCO2)C[C@H]2[C@@H]1CC(=O)O2
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Smiles:
OC[C@H]1[C@H](OC2CCCCO2)C[C@H]2[C@@H]1CC(=O)O2
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Smiles: OC(=O)c1ccccc1Oc1cccc(c1)C(F)(F)F
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Smiles:
OC(=O)c1ccccc1Oc1cccc(c1)C(F)(F)F
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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