AE18513
10537-86-7 | 4-Hydroxy-3,5-bis(isopropyl)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AE18513
ChemicalName
4-Hydroxy-3,5-bis(isopropyl)benzaldehyde
CasNumber
10537-86-7
MolecularFormula
C13H18O2
MolecularWeight
206.2808
MdlNumber
MFCD00812875
Smiles
O=Cc1cc(C(C)C)c(c(c1)C(C)C)O
Complexity
193
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.3
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CatalogNumber: AE18513
ChemicalName: 4-Hydroxy-3,5-bis(isopropyl)benzaldehyde
CasNumber: 10537-86-7
MolecularFormula: C13H18O2
MolecularWeight: 206.2808
MdlNumber: MFCD00812875
Smiles: O=Cc1cc(C(C)C)c(c(c1)C(C)C)O
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AE18513
ChemicalName:
4-Hydroxy-3,5-bis(isopropyl)benzaldehyde
CasNumber:
10537-86-7
MolecularFormula:
C13H18O2
MolecularWeight:
206.2808
MdlNumber:
MFCD00812875
Smiles:
O=Cc1cc(C(C)C)c(c(c1)C(C)C)O
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)OB(OC1(C)C)c1cccnn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC1(C)OB(OC1(C)C)c1cccnn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: Nc1ccc2n(c1)cnn2
Complexity: __
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Smiles:
Nc1ccc2n(c1)cnn2
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Brc1ncc(c(c1)C(=O)C)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ncc(c(c1)C(=O)C)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__