AB54407
21983-72-2 | 3,3-Dimethoxybutan-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB54407
ChemicalName
3,3-Dimethoxybutan-2-one
CasNumber
21983-72-2
MolecularFormula
C6H12O3
MolecularWeight
132.15768
MdlNumber
MFCD00075266
Smiles
COC(C(=O)C)(OC)C
Complexity
105
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
RotatableBondCount
3
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CatalogNumber: AB54407
ChemicalName: 3,3-Dimethoxybutan-2-one
CasNumber: 21983-72-2
MolecularFormula: C6H12O3
MolecularWeight: 132.15768
MdlNumber: MFCD00075266
Smiles: COC(C(=O)C)(OC)C
Complexity: 105
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
CatalogNumber:
AB54407
ChemicalName:
3,3-Dimethoxybutan-2-one
CasNumber:
21983-72-2
MolecularFormula:
C6H12O3
MolecularWeight:
132.15768
MdlNumber:
MFCD00075266
Smiles:
COC(C(=O)C)(OC)C
Complexity:
105
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
CatalogNumber: AB54408
ChemicalName: 3,3-Dimethylbutan-1-ol
CasNumber: 624-95-3
MolecularFormula: C6H14O
MolecularWeight: 102.1748
MdlNumber: MFCD10700131
Smiles: OCCC(C)(C)C
Complexity: 42.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
CatalogNumber:
AB54408
ChemicalName:
3,3-Dimethylbutan-1-ol
CasNumber:
624-95-3
MolecularFormula:
C6H14O
MolecularWeight:
102.1748
MdlNumber:
MFCD10700131
Smiles:
OCCC(C)(C)C
Complexity:
42.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
CatalogNumber: AB54409
ChemicalName: 3,3'-Diaminodiphenyl sulfone
CasNumber: 599-61-1
MolecularFormula: C12H12N2O2S
MolecularWeight: 248.30088
MdlNumber: MFCD00007792
Smiles: Nc1cccc(c1)S(=O)(=O)c1cccc(c1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
AB54409
ChemicalName:
3,3'-Diaminodiphenyl sulfone
CasNumber:
599-61-1
MolecularFormula:
C12H12N2O2S
MolecularWeight:
248.30088
MdlNumber:
MFCD00007792
Smiles:
Nc1cccc(c1)S(=O)(=O)c1cccc(c1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AB54410
ChemicalName: 3,4-(Methylenedioxy)cinnamic acid
CasNumber: 2373-80-0
MolecularFormula: C10H8O4
MolecularWeight: 192.16812
MdlNumber: MFCD00005837
Smiles: OC(=O)C=Cc1ccc2c(c1)OCO2
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
CatalogNumber:
AB54410
ChemicalName:
3,4-(Methylenedioxy)cinnamic acid
CasNumber:
2373-80-0
MolecularFormula:
C10H8O4
MolecularWeight:
192.16812
MdlNumber:
MFCD00005837
Smiles:
OC(=O)C=Cc1ccc2c(c1)OCO2
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2