AB69523
4595-61-3 | Pyrimidine-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB69523
ChemicalName
Pyrimidine-5-carboxylic acid
CasNumber
4595-61-3
MolecularFormula
C5H4N2O2
MolecularWeight
124.0975
MdlNumber
MFCD00008166
Smiles
OC(=O)c1cncnc1
Complexity
110
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.3
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CatalogNumber: AB69523
ChemicalName: Pyrimidine-5-carboxylic acid
CasNumber: 4595-61-3
MolecularFormula: C5H4N2O2
MolecularWeight: 124.0975
MdlNumber: MFCD00008166
Smiles: OC(=O)c1cncnc1
Complexity: 110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.3
CatalogNumber:
AB69523
ChemicalName:
Pyrimidine-5-carboxylic acid
CasNumber:
4595-61-3
MolecularFormula:
C5H4N2O2
MolecularWeight:
124.0975
MdlNumber:
MFCD00008166
Smiles:
OC(=O)c1cncnc1
Complexity:
110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.3
CatalogNumber: AB69524
ChemicalName: 5-tert-Butoxy-5-oxopentanoic acid
CasNumber: 63128-51-8
MolecularFormula: C9H16O4
MolecularWeight: 188.2209
MdlNumber: MFCD09759103
Smiles: O=C(OC(C)(C)C)CCCC(=O)O
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 0.9
CatalogNumber:
AB69524
ChemicalName:
5-tert-Butoxy-5-oxopentanoic acid
CasNumber:
63128-51-8
MolecularFormula:
C9H16O4
MolecularWeight:
188.2209
MdlNumber:
MFCD09759103
Smiles:
O=C(OC(C)(C)C)CCCC(=O)O
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C)(C)C1=CC2=C(C=C1)C(=NC2=N)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C)(C)C1=CC2=C(C=C1)C(=NC2=N)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB69526
ChemicalName: 5-tert-Butylsalicylaldehyde
CasNumber: 2725-53-3
MolecularFormula: C11H14O2
MolecularWeight: 178.2277
MdlNumber: MFCD01321335
Smiles: O=Cc1cc(ccc1O)C(C)(C)C
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AB69526
ChemicalName:
5-tert-Butylsalicylaldehyde
CasNumber:
2725-53-3
MolecularFormula:
C11H14O2
MolecularWeight:
178.2277
MdlNumber:
MFCD01321335
Smiles:
O=Cc1cc(ccc1O)C(C)(C)C
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3