AI41958
1864760-23-5 | (2E)-4-Hydroxy-N-[(4-methoxyphenyl)methyl]but-2-enamide
Manufacturer: A2B Chem
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CatalogNumber
AI41958
ChemicalName
(2E)-4-Hydroxy-N-[(4-methoxyphenyl)methyl]but-2-enamide
CasNumber
1864760-23-5
MolecularFormula
C12H15NO3
MolecularWeight
221.2524
MdlNumber
MFCD29035367
Smiles
OC/C=C/C(=O)NCc1ccc(cc1)OC
Complexity
232
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
0.6
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CatalogNumber: AI41958
ChemicalName: (2E)-4-Hydroxy-N-[(4-methoxyphenyl)methyl]but-2-enamide
CasNumber: 1864760-23-5
MolecularFormula: C12H15NO3
MolecularWeight: 221.2524
MdlNumber: MFCD29035367
Smiles: OC/C=C/C(=O)NCc1ccc(cc1)OC
Complexity: 232
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 0.6
CatalogNumber:
AI41958
ChemicalName:
(2E)-4-Hydroxy-N-[(4-methoxyphenyl)methyl]but-2-enamide
CasNumber:
1864760-23-5
MolecularFormula:
C12H15NO3
MolecularWeight:
221.2524
MdlNumber:
MFCD29035367
Smiles:
OC/C=C/C(=O)NCc1ccc(cc1)OC
Complexity:
232
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
0.6
CatalogNumber: AI41959
ChemicalName: Methyl 3-(dimethylamino)-2-(4-nitropyrazol-1-yl)prop-2-enoate
CasNumber: 1864760-35-9
MolecularFormula: C9H12N4O4
MolecularWeight: 240.216
MdlNumber: MFCD29035398
Smiles: COC(=O)/C(=C/N(C)C)/n1ncc(c1)[N+](=O)[O-]
Complexity: 336
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 0.5
CatalogNumber:
AI41959
ChemicalName:
Methyl 3-(dimethylamino)-2-(4-nitropyrazol-1-yl)prop-2-enoate
CasNumber:
1864760-35-9
MolecularFormula:
C9H12N4O4
MolecularWeight:
240.216
MdlNumber:
MFCD29035398
Smiles:
COC(=O)/C(=C/N(C)C)/n1ncc(c1)[N+](=O)[O-]
Complexity:
336
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc2c1cccc2B1OC(C(O1)(C)C)(C)C
Complexity: 446
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc2c1cccc2B1OC(C(O1)(C)C)(C)C
Complexity:
446
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CCN(CC1)c1ccc(cn1)B(O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CCN(CC1)c1ccc(cn1)B(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__