AC44780
81502-74-1 | 2-Hydroxybenzene-1,3,5-tricarbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AC44780
ChemicalName
2-Hydroxybenzene-1,3,5-tricarbaldehyde
CasNumber
81502-74-1
MolecularFormula
C9H6O4
MolecularWeight
178.1415
MdlNumber
MFCD01314207
Smiles
O=Cc1cc(C=O)c(c(c1)C=O)O
Complexity
196
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AC44780
ChemicalName: 2-Hydroxybenzene-1,3,5-tricarbaldehyde
CasNumber: 81502-74-1
MolecularFormula: C9H6O4
MolecularWeight: 178.1415
MdlNumber: MFCD01314207
Smiles: O=Cc1cc(C=O)c(c(c1)C=O)O
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AC44780
ChemicalName:
2-Hydroxybenzene-1,3,5-tricarbaldehyde
CasNumber:
81502-74-1
MolecularFormula:
C9H6O4
MolecularWeight:
178.1415
MdlNumber:
MFCD01314207
Smiles:
O=Cc1cc(C=O)c(c(c1)C=O)O
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5
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Smiles: C=CCC([N+](=O)[O-])(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
C=CCC([N+](=O)[O-])(C)C
Complexity:
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Smiles: CC(=O)Nc1cccc(c1)OCc1ccccc1
Complexity: __
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HydrogenBondDonorCount: __
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ChemicalName:
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MolecularFormula:
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Smiles:
CC(=O)Nc1cccc(c1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)CCCN=C(N)N)C)C(O)C)Cc1ccc(cc1)O)CCC(=O)O)CC(=O)N)CC(=O)O)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N)CCCN=C(N)N)CC(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)CCCN=C(N)N)C)C(O)C)Cc1ccc(cc1)O)CCC(=O)O)CC(=O)N)CC(=O)O)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N)CCCN=C(N)N)CC(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__