AB44224
66621-73-6 | 2-Pyrimidineacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44224
ChemicalName
2-Pyrimidineacetic acid
CasNumber
66621-73-6
MolecularFormula
C6H6N2O2
MolecularWeight
138.124
MdlNumber
MFCD04973302
Smiles
OC(=O)Cc1ncccn1
Complexity
121
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.3
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CatalogNumber: AB44224
ChemicalName: 2-Pyrimidineacetic acid
CasNumber: 66621-73-6
MolecularFormula: C6H6N2O2
MolecularWeight: 138.124
MdlNumber: MFCD04973302
Smiles: OC(=O)Cc1ncccn1
Complexity: 121
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AB44224
ChemicalName:
2-Pyrimidineacetic acid
CasNumber:
66621-73-6
MolecularFormula:
C6H6N2O2
MolecularWeight:
138.124
MdlNumber:
MFCD04973302
Smiles:
OC(=O)Cc1ncccn1
Complexity:
121
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCN1
Complexity: 69.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCCN1
Complexity:
69.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.8
CatalogNumber: AB44226
ChemicalName: 2-Quinolinecarboxaldehyde
CasNumber: 5470-96-2
MolecularFormula: C10H7NO
MolecularWeight: 157.1687
MdlNumber: MFCD00075032
Smiles: O=Cc1ccc2c(n1)cccc2
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AB44226
ChemicalName:
2-Quinolinecarboxaldehyde
CasNumber:
5470-96-2
MolecularFormula:
C10H7NO
MolecularWeight:
157.1687
MdlNumber:
MFCD00075032
Smiles:
O=Cc1ccc2c(n1)cccc2
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(c1)C(C)(C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c(c1)C(C)(C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__