AB46315
641-74-7 | (3R,3aR,6R,6aR)-Hexahydrofuro[3,2-b]furan-3,6-diol
Manufacturer: A2B Chem
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CatalogNumber
AB46315
ChemicalName
(3R,3aR,6R,6aR)-Hexahydrofuro[3,2-b]furan-3,6-diol
CasNumber
641-74-7
MolecularFormula
C6H10O4
MolecularWeight
146.1412
MdlNumber
MFCD10698761
Smiles
O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O
Complexity
122
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
Xlogp3
-1.4
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CatalogNumber: AB46315
ChemicalName: (3R,3aR,6R,6aR)-Hexahydrofuro[3,2-b]furan-3,6-diol
CasNumber: 641-74-7
MolecularFormula: C6H10O4
MolecularWeight: 146.1412
MdlNumber: MFCD10698761
Smiles: O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O
Complexity: 122
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
Xlogp3: -1.4
CatalogNumber:
AB46315
ChemicalName:
(3R,3aR,6R,6aR)-Hexahydrofuro[3,2-b]furan-3,6-diol
CasNumber:
641-74-7
MolecularFormula:
C6H10O4
MolecularWeight:
146.1412
MdlNumber:
MFCD10698761
Smiles:
O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O
Complexity:
122
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
Xlogp3:
-1.4
CatalogNumber: AB46316
ChemicalName: isonicotinic acid
CasNumber: 55-22-1
MolecularFormula: C6H5NO2
MolecularWeight: 123.10940000000001
MdlNumber: MFCD00006429
Smiles: OC(=O)c1ccncc1
Complexity: 108
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
Xlogp3: 0.4
CatalogNumber:
AB46316
ChemicalName:
isonicotinic acid
CasNumber:
55-22-1
MolecularFormula:
C6H5NO2
MolecularWeight:
123.10940000000001
MdlNumber:
MFCD00006429
Smiles:
OC(=O)c1ccncc1
Complexity:
108
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=N)c1ccncc1.[Cl-]
Complexity: 105
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=N)c1ccncc1.[Cl-]
Complexity:
105
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCC(=O)OCCC(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCC(=O)OCCC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__