AB52009
1679-47-6 | Alpha-methyl-gamma-butyrolactone
Manufacturer: A2B Chem
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CatalogNumber
AB52009
ChemicalName
Alpha-methyl-gamma-butyrolactone
CasNumber
1679-47-6
MolecularFormula
C5H8O2
MolecularWeight
100.1158
MdlNumber
MFCD00005396
Smiles
O=C1OCCC1C
NscNumber
102837
Complexity
88.1
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.8
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CatalogNumber: AB52009
ChemicalName: Alpha-methyl-gamma-butyrolactone
CasNumber: 1679-47-6
MolecularFormula: C5H8O2
MolecularWeight: 100.1158
MdlNumber: MFCD00005396
Smiles: O=C1OCCC1C
NscNumber: 102837
Complexity: 88.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.8
CatalogNumber:
AB52009
ChemicalName:
Alpha-methyl-gamma-butyrolactone
CasNumber:
1679-47-6
MolecularFormula:
C5H8O2
MolecularWeight:
100.1158
MdlNumber:
MFCD00005396
Smiles:
O=C1OCCC1C
NscNumber:
102837
Complexity:
88.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1=CC[C@@H](CC1)C(=C)C
NscNumber: __
Complexity: 163
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=CC[C@@H](CC1)C(=C)C
NscNumber:
__
Complexity:
163
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)C(c1ccccc1)OCCN(C)C
NscNumber: __
Complexity: 268
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)C(c1ccccc1)OCCN(C)C
NscNumber:
__
Complexity:
268
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOP(=O)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC
NscNumber: __
Complexity: 496
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOP(=O)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC
NscNumber:
__
Complexity:
496
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.8