AB15058
1885-38-7 | (E)-Cinnamonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB15058
ChemicalName
(E)-Cinnamonitrile
CasNumber
1885-38-7
MolecularFormula
C9H7N
MolecularWeight
129.1586
MdlNumber
MFCD00001930
Smiles
N#C/C=C/c1ccccc1
Complexity
155
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AB15058
ChemicalName: (E)-Cinnamonitrile
CasNumber: 1885-38-7
MolecularFormula: C9H7N
MolecularWeight: 129.1586
MdlNumber: MFCD00001930
Smiles: N#C/C=C/c1ccccc1
Complexity: 155
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB15058
ChemicalName:
(E)-Cinnamonitrile
CasNumber:
1885-38-7
MolecularFormula:
C9H7N
MolecularWeight:
129.1586
MdlNumber:
MFCD00001930
Smiles:
N#C/C=C/c1ccccc1
Complexity:
155
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AB15059
ChemicalName: 3,4,5-Trimethoxybenzonitrile
CasNumber: 1885-35-4
MolecularFormula: C10H11NO3
MolecularWeight: 193.1992
MdlNumber: MFCD00001803
Smiles: COc1cc(C#N)cc(c1OC)OC
Complexity: 209
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AB15059
ChemicalName:
3,4,5-Trimethoxybenzonitrile
CasNumber:
1885-35-4
MolecularFormula:
C10H11NO3
MolecularWeight:
193.1992
MdlNumber:
MFCD00001803
Smiles:
COc1cc(C#N)cc(c1OC)OC
Complexity:
209
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)c1cccc(c1N)C
Complexity: 158
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1cccc(c1N)C
Complexity:
158
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)c1c(C)cccc1N
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1c(C)cccc1N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__