AF36931
221381-89-1 | Methyl 4-(2-oxopyrrolidin-1-yl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AF36931
ChemicalName
Methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CasNumber
221381-89-1
MolecularFormula
C12H13NO3
MolecularWeight
219.2365
MdlNumber
MFCD00584781
Smiles
COC(=O)c1ccc(cc1)N1CCCC1=O
Complexity
282
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AF36931
ChemicalName: Methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CasNumber: 221381-89-1
MolecularFormula: C12H13NO3
MolecularWeight: 219.2365
MdlNumber: MFCD00584781
Smiles: COC(=O)c1ccc(cc1)N1CCCC1=O
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AF36931
ChemicalName:
Methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CasNumber:
221381-89-1
MolecularFormula:
C12H13NO3
MolecularWeight:
219.2365
MdlNumber:
MFCD00584781
Smiles:
COC(=O)c1ccc(cc1)N1CCCC1=O
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: AF36932
ChemicalName: t-Butyl 4-hydroxy-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
CasNumber: 223609-09-4
MolecularFormula: C12H17N3O3
MolecularWeight: 251.2817
MdlNumber: MFCD11869801
Smiles: O=C(N1CCc2c(C1)c(O)ncn2)OC(C)(C)C
Complexity: 446
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AF36932
ChemicalName:
t-Butyl 4-hydroxy-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
CasNumber:
223609-09-4
MolecularFormula:
C12H17N3O3
MolecularWeight:
251.2817
MdlNumber:
MFCD11869801
Smiles:
O=C(N1CCc2c(C1)c(O)ncn2)OC(C)(C)C
Complexity:
446
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AF36933
ChemicalName: 5-Methyl-2-phenylbenzoic acid
CasNumber: 2840-46-2
MolecularFormula: C14H12O2
MolecularWeight: 212.2439
MdlNumber: MFCD11933361
Smiles: Cc1ccc(c(c1)C(=O)O)c1ccccc1
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AF36933
ChemicalName:
5-Methyl-2-phenylbenzoic acid
CasNumber:
2840-46-2
MolecularFormula:
C14H12O2
MolecularWeight:
212.2439
MdlNumber:
MFCD11933361
Smiles:
Cc1ccc(c(c1)C(=O)O)c1ccccc1
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AF36934
ChemicalName: N-Butyl-3-nitropyridin-2-amine
CasNumber: 26820-68-8
MolecularFormula: C9H13N3O2
MolecularWeight: 195.2184
MdlNumber: MFCD11118020
Smiles: CCCCNc1ncccc1[N+](=O)[O-]
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AF36934
ChemicalName:
N-Butyl-3-nitropyridin-2-amine
CasNumber:
26820-68-8
MolecularFormula:
C9H13N3O2
MolecularWeight:
195.2184
MdlNumber:
MFCD11118020
Smiles:
CCCCNc1ncccc1[N+](=O)[O-]
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.8