AB54167
38998-17-3 | 2,3-Dimethylanisaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB54167
ChemicalName
2,3-Dimethylanisaldehyde
CasNumber
38998-17-3
MolecularFormula
C10H12O2
MolecularWeight
164.2011
MdlNumber
MFCD00003339
Smiles
COc1ccc(c(c1C)C)C=O
Complexity
156
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AB54167
ChemicalName: 2,3-Dimethylanisaldehyde
CasNumber: 38998-17-3
MolecularFormula: C10H12O2
MolecularWeight: 164.2011
MdlNumber: MFCD00003339
Smiles: COc1ccc(c(c1C)C)C=O
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB54167
ChemicalName:
2,3-Dimethylanisaldehyde
CasNumber:
38998-17-3
MolecularFormula:
C10H12O2
MolecularWeight:
164.2011
MdlNumber:
MFCD00003339
Smiles:
COc1ccc(c(c1C)C)C=O
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(c1ccccc1)Cc1ccccc1
Complexity: 237
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(c1ccccc1)Cc1ccccc1
Complexity:
237
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4
CatalogNumber: AB54169
ChemicalName: 2',3'-O-Isopropylideneinosine
CasNumber: 2140-11-6
MolecularFormula: C13H18N4O5
MolecularWeight: 310.3058
MdlNumber: MFCD00038002
Smiles: OCC1OC(C2C1OC(O2)(C)C)n1cnc2c1NCNC2=O
Complexity: 513
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
RotatableBondCount: 2
Xlogp3: -1.1
CatalogNumber:
AB54169
ChemicalName:
2',3'-O-Isopropylideneinosine
CasNumber:
2140-11-6
MolecularFormula:
C13H18N4O5
MolecularWeight:
310.3058
MdlNumber:
MFCD00038002
Smiles:
OCC1OC(C2C1OC(O2)(C)C)n1cnc2c1NCNC2=O
Complexity:
513
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
RotatableBondCount:
2
Xlogp3:
-1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(Br)c(cc1C)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(Br)c(cc1C)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__