AB57513
4845-50-5 | 1,4-Dioxane-2,3-diol
Manufacturer: A2B Chem
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CatalogNumber
AB57513
ChemicalName
1,4-Dioxane-2,3-diol
CasNumber
4845-50-5
MolecularFormula
C4H8O4
MolecularWeight
120.1039
MdlNumber
MFCD00006572
Smiles
OC1OCCOC1O
NscNumber
57544
Complexity
64.4
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
-1.3
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CatalogNumber: AB57513
ChemicalName: 1,4-Dioxane-2,3-diol
CasNumber: 4845-50-5
MolecularFormula: C4H8O4
MolecularWeight: 120.1039
MdlNumber: MFCD00006572
Smiles: OC1OCCOC1O
NscNumber: 57544
Complexity: 64.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: -1.3
CatalogNumber:
AB57513
ChemicalName:
1,4-Dioxane-2,3-diol
CasNumber:
4845-50-5
MolecularFormula:
C4H8O4
MolecularWeight:
120.1039
MdlNumber:
MFCD00006572
Smiles:
OC1OCCOC1O
NscNumber:
57544
Complexity:
64.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
-1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OCC(=O)OC1
NscNumber: __
Complexity: 112
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OCC(=O)OC1
NscNumber:
__
Complexity:
112
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.2
CatalogNumber: AB57515
ChemicalName: Diglycolic anhydride
CasNumber: 4480-83-5
MolecularFormula: C4H4O4
MolecularWeight: 116.0722
MdlNumber: MFCD00006677
Smiles: O=C1COCC(=O)O1
NscNumber: __
Complexity: 114
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.4
CatalogNumber:
AB57515
ChemicalName:
Diglycolic anhydride
CasNumber:
4480-83-5
MolecularFormula:
C4H4O4
MolecularWeight:
116.0722
MdlNumber:
MFCD00006677
Smiles:
O=C1COCC(=O)O1
NscNumber:
__
Complexity:
114
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CC1CCC2(CC1)OCCO2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CC1CCC2(CC1)OCCO2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__