AE25139
1112851-31-6 | 5,6-Dimethoxynicotinonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE25139
ChemicalName
5,6-Dimethoxynicotinonitrile
CasNumber
1112851-31-6
MolecularFormula
C8H8N2O2
MolecularWeight
164.1613
MdlNumber
MFCD11857660
Smiles
COc1cc(C#N)cnc1OC
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AE25139
ChemicalName: 5,6-Dimethoxynicotinonitrile
CasNumber: 1112851-31-6
MolecularFormula: C8H8N2O2
MolecularWeight: 164.1613
MdlNumber: MFCD11857660
Smiles: COc1cc(C#N)cnc1OC
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AE25139
ChemicalName:
5,6-Dimethoxynicotinonitrile
CasNumber:
1112851-31-6
MolecularFormula:
C8H8N2O2
MolecularWeight:
164.1613
MdlNumber:
MFCD11857660
Smiles:
COc1cc(C#N)cnc1OC
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AE25140
ChemicalName: 1-Cyclopropyl-2-methyl-1,3-benzodiazole-5-carbonitrile
CasNumber: 1119505-56-4
MolecularFormula: C12H11N3
MolecularWeight: 197.2358
MdlNumber: MFCD13881257
Smiles: N#Cc1ccc2c(c1)nc(n2C1CC1)C
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AE25140
ChemicalName:
1-Cyclopropyl-2-methyl-1,3-benzodiazole-5-carbonitrile
CasNumber:
1119505-56-4
MolecularFormula:
C12H11N3
MolecularWeight:
197.2358
MdlNumber:
MFCD13881257
Smiles:
N#Cc1ccc2c(c1)nc(n2C1CC1)C
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc2c(c1)nc(n2C1CC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc2c(c1)nc(n2C1CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE25142
ChemicalName: 3-(Cyclopropylmethoxy)propanenitrile
CasNumber: 1019568-17-2
MolecularFormula: C7H11NO
MolecularWeight: 125.1683
MdlNumber: MFCD11136705
Smiles: N#CCCOCC1CC1
Complexity: 120
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 0.5
CatalogNumber:
AE25142
ChemicalName:
3-(Cyclopropylmethoxy)propanenitrile
CasNumber:
1019568-17-2
MolecularFormula:
C7H11NO
MolecularWeight:
125.1683
MdlNumber:
MFCD11136705
Smiles:
N#CCCOCC1CC1
Complexity:
120
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
0.5