AB57217
839-90-7 | 1,3,5-Tris(2-hydroxyethyl)cyanuric acid
Manufacturer: A2B Chem
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CatalogNumber
AB57217
ChemicalName
1,3,5-Tris(2-hydroxyethyl)cyanuric acid
CasNumber
839-90-7
MolecularFormula
C9H21N3O6
MolecularWeight
267.2795
MdlNumber
MFCD00003549
Smiles
OCCN1C(O)N(CCO)C(N(C1O)CCO)O
NscNumber
11680
Complexity
271
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
6
Xlogp3
-2.7
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CatalogNumber: AB57217
ChemicalName: 1,3,5-Tris(2-hydroxyethyl)cyanuric acid
CasNumber: 839-90-7
MolecularFormula: C9H21N3O6
MolecularWeight: 267.2795
MdlNumber: MFCD00003549
Smiles: OCCN1C(O)N(CCO)C(N(C1O)CCO)O
NscNumber: 11680
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: -2.7
CatalogNumber:
AB57217
ChemicalName:
1,3,5-Tris(2-hydroxyethyl)cyanuric acid
CasNumber:
839-90-7
MolecularFormula:
C9H21N3O6
MolecularWeight:
267.2795
MdlNumber:
MFCD00003549
Smiles:
OCCN1C(O)N(CCO)C(N(C1O)CCO)O
NscNumber:
11680
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
-2.7
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Smiles: CC(=C)Cn1c(=O)n(CC(=C)C)c(=O)n(c1=O)CC(=C)C
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Smiles:
CC(=C)Cn1c(=O)n(CC(=C)C)c(=O)n(c1=O)CC(=C)C
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Smiles: OC(=O)c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)c1ccc(cc1)C(=O)O)c1ccc(cc1)c1ccc(cc1)C(=O)O
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Smiles:
OC(=O)c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)c1ccc(cc1)C(=O)O)c1ccc(cc1)c1ccc(cc1)C(=O)O
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RotatableBondCount:
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Smiles: FC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)F
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RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__