AB45512
6044-68-4 | Acrolein dimethyl acetal
Manufacturer: A2B Chem
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CatalogNumber
AB45512
ChemicalName
Acrolein dimethyl acetal
CasNumber
6044-68-4
MolecularFormula
C5H10O2
MolecularWeight
102.1317
MdlNumber
MFCD00008632
Smiles
COC(C=C)OC
NscNumber
84156
Complexity
48
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
0.7
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CatalogNumber: AB45512
ChemicalName: Acrolein dimethyl acetal
CasNumber: 6044-68-4
MolecularFormula: C5H10O2
MolecularWeight: 102.1317
MdlNumber: MFCD00008632
Smiles: COC(C=C)OC
NscNumber: 84156
Complexity: 48
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AB45512
ChemicalName:
Acrolein dimethyl acetal
CasNumber:
6044-68-4
MolecularFormula:
C5H10O2
MolecularWeight:
102.1317
MdlNumber:
MFCD00008632
Smiles:
COC(C=C)OC
NscNumber:
84156
Complexity:
48
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)C=C
NscNumber: __
Complexity: 57.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)C=C
NscNumber:
__
Complexity:
57.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ncnc2c1[nH]cn2
NscNumber: __
Complexity: 127
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ncnc2c1[nH]cn2
NscNumber:
__
Complexity:
127
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1
CatalogNumber: AB45516
ChemicalName: Vidarabine
CasNumber: 5536-17-4
MolecularFormula: C10H13N5O4
MolecularWeight: 267.2413
MdlNumber: MFCD00005752
Smiles: OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1ncnc2N
NscNumber: 757383
Complexity: 335
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 8
RotatableBondCount: 2
Xlogp3: -1.1
CatalogNumber:
AB45516
ChemicalName:
Vidarabine
CasNumber:
5536-17-4
MolecularFormula:
C10H13N5O4
MolecularWeight:
267.2413
MdlNumber:
MFCD00005752
Smiles:
OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1ncnc2N
NscNumber:
757383
Complexity:
335
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
8
RotatableBondCount:
2
Xlogp3:
-1.1