AA75744
15042-01-0 | (+)-5,6-O-Isopropylidene-l-ascorbic acid
Manufacturer: A2B Chem
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CatalogNumber
AA75744
ChemicalName
(+)-5,6-O-Isopropylidene-l-ascorbic acid
CasNumber
15042-01-0
MolecularFormula
C9H12O6
MolecularWeight
216.188
MdlNumber
MFCD00010552
Smiles
O=C1O[C@@H](C(=C1O)O)[C@@H]1COC(O1)(C)C
Complexity
332
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-0.3
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CatalogNumber: AA75744
ChemicalName: (+)-5,6-O-Isopropylidene-l-ascorbic acid
CasNumber: 15042-01-0
MolecularFormula: C9H12O6
MolecularWeight: 216.188
MdlNumber: MFCD00010552
Smiles: O=C1O[C@@H](C(=C1O)O)[C@@H]1COC(O1)(C)C
Complexity: 332
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.3
CatalogNumber:
AA75744
ChemicalName:
(+)-5,6-O-Isopropylidene-l-ascorbic acid
CasNumber:
15042-01-0
MolecularFormula:
C9H12O6
MolecularWeight:
216.188
MdlNumber:
MFCD00010552
Smiles:
O=C1O[C@@H](C(=C1O)O)[C@@H]1COC(O1)(C)C
Complexity:
332
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.3
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Smiles: O=C1CCCC(C1)C(=O)C
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Smiles:
O=C1CCCC(C1)C(=O)C
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Smiles: O=c1[nH]c2ccccc2nc1c1ccccc1
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Smiles:
O=c1[nH]c2ccccc2nc1c1ccccc1
Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=CC=Cc1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=CC=Cc1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__