AI57495
858678-71-4 | 3-(Pyridin-2-yl)propiolic acid
Manufacturer: A2B Chem
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CatalogNumber
AI57495
ChemicalName
3-(Pyridin-2-yl)propiolic acid
CasNumber
858678-71-4
MolecularFormula
C8H5NO2
MolecularWeight
147.1308
MdlNumber
MFCD16619698
Smiles
OC(=O)C#Cc1ccccn1
Complexity
211
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AI57495
ChemicalName: 3-(Pyridin-2-yl)propiolic acid
CasNumber: 858678-71-4
MolecularFormula: C8H5NO2
MolecularWeight: 147.1308
MdlNumber: MFCD16619698
Smiles: OC(=O)C#Cc1ccccn1
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AI57495
ChemicalName:
3-(Pyridin-2-yl)propiolic acid
CasNumber:
858678-71-4
MolecularFormula:
C8H5NO2
MolecularWeight:
147.1308
MdlNumber:
MFCD16619698
Smiles:
OC(=O)C#Cc1ccccn1
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CCN(CC1)c1ccc(cc1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CCN(CC1)c1ccc(cc1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI57497
ChemicalName: 4,4,6,8-Tetramethyl-3,4-dihydroquinolin-2(1H)-one
CasNumber: 858784-00-6
MolecularFormula: C13H17NO
MolecularWeight: 203.2802
MdlNumber: MFCD24567399
Smiles: O=C1Nc2c(C)cc(cc2C(C1)(C)C)C
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
AI57497
ChemicalName:
4,4,6,8-Tetramethyl-3,4-dihydroquinolin-2(1H)-one
CasNumber:
858784-00-6
MolecularFormula:
C13H17NO
MolecularWeight:
203.2802
MdlNumber:
MFCD24567399
Smiles:
O=C1Nc2c(C)cc(cc2C(C1)(C)C)C
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2-c3c(Cc2c1)ccc(c3)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2-c3c(Cc2c1)ccc(c3)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__