AA34370
126-11-4 | 2-(Hydroxymethyl)-2-nitropropane-1,3-diol
Manufacturer: A2B Chem
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CatalogNumber
AA34370
ChemicalName
2-(Hydroxymethyl)-2-nitropropane-1,3-diol
CasNumber
126-11-4
MolecularFormula
C4H9NO5
MolecularWeight
151.118
MdlNumber
MFCD11707247
Smiles
OCC([N+](=O)[O-])(CO)CO
Complexity
107
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
-2.2
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CatalogNumber: AA34370
ChemicalName: 2-(Hydroxymethyl)-2-nitropropane-1,3-diol
CasNumber: 126-11-4
MolecularFormula: C4H9NO5
MolecularWeight: 151.118
MdlNumber: MFCD11707247
Smiles: OCC([N+](=O)[O-])(CO)CO
Complexity: 107
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -2.2
CatalogNumber:
AA34370
ChemicalName:
2-(Hydroxymethyl)-2-nitropropane-1,3-diol
CasNumber:
126-11-4
MolecularFormula:
C4H9NO5
MolecularWeight:
151.118
MdlNumber:
MFCD11707247
Smiles:
OCC([N+](=O)[O-])(CO)CO
Complexity:
107
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrN1C(=O)N(C(C1=O)(C)C)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrN1C(=O)N(C(C1=O)(C)C)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C
Complexity: 317
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C
Complexity:
317
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CS.NCCO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CS.NCCO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__