AB54110
5469-45-4 | Alpha-acetamidocinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AB54110
ChemicalName
Alpha-acetamidocinnamic acid
CasNumber
5469-45-4
MolecularFormula
C11H11NO3
MolecularWeight
205.2099
MdlNumber
MFCD00008680
Smiles
OC(=O)/C=C/c1ccccc1NC(=O)C
Complexity
278
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AB54110
ChemicalName: Alpha-acetamidocinnamic acid
CasNumber: 5469-45-4
MolecularFormula: C11H11NO3
MolecularWeight: 205.2099
MdlNumber: MFCD00008680
Smiles: OC(=O)/C=C/c1ccccc1NC(=O)C
Complexity: 278
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AB54110
ChemicalName:
Alpha-acetamidocinnamic acid
CasNumber:
5469-45-4
MolecularFormula:
C11H11NO3
MolecularWeight:
205.2099
MdlNumber:
MFCD00008680
Smiles:
OC(=O)/C=C/c1ccccc1NC(=O)C
Complexity:
278
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AB54111
ChemicalName: 2-(Bromomethyl)-6-methylpyridine
CasNumber: 68470-59-7
MolecularFormula: C7H8BrN
MolecularWeight: 186.0491
MdlNumber: MFCD04967229
Smiles: BrCc1cccc(n1)C
Complexity: 85
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AB54111
ChemicalName:
2-(Bromomethyl)-6-methylpyridine
CasNumber:
68470-59-7
MolecularFormula:
C7H8BrN
MolecularWeight:
186.0491
MdlNumber:
MFCD04967229
Smiles:
BrCc1cccc(n1)C
Complexity:
85
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCNCCO
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCNCCO
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB54113
ChemicalName: 2'-(Dibenzylamino)-6'-(diethylamino)fluoran
CasNumber: 34372-72-0
MolecularFormula: C38H34N2O3
MolecularWeight: 566.6882
MdlNumber: MFCD00100991
Smiles: CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)N(Cc1ccccc1)Cc1ccccc1)CC
Complexity: 906
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 43
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 8
CatalogNumber:
AB54113
ChemicalName:
2'-(Dibenzylamino)-6'-(diethylamino)fluoran
CasNumber:
34372-72-0
MolecularFormula:
C38H34N2O3
MolecularWeight:
566.6882
MdlNumber:
MFCD00100991
Smiles:
CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)N(Cc1ccccc1)Cc1ccccc1)CC
Complexity:
906
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
43
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
8