AF58065
3943-73-5 | Ethyl 2,3-dihydroxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AF58065
ChemicalName
Ethyl 2,3-dihydroxybenzoate
CasNumber
3943-73-5
MolecularFormula
C9H10O4
MolecularWeight
182.17329999999998
MdlNumber
MFCD03644149
Smiles
CCOC(=O)c1cccc(c1O)O
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AF58065
ChemicalName: Ethyl 2,3-dihydroxybenzoate
CasNumber: 3943-73-5
MolecularFormula: C9H10O4
MolecularWeight: 182.17329999999998
MdlNumber: MFCD03644149
Smiles: CCOC(=O)c1cccc(c1O)O
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AF58065
ChemicalName:
Ethyl 2,3-dihydroxybenzoate
CasNumber:
3943-73-5
MolecularFormula:
C9H10O4
MolecularWeight:
182.17329999999998
MdlNumber:
MFCD03644149
Smiles:
CCOC(=O)c1cccc(c1O)O
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: AF58066
ChemicalName: 3-(Trifluoromethyl)-2-pyrazolin-5-one
CasNumber: 401-73-0
MolecularFormula: C4HF3N2O
MolecularWeight: 150.0587
MdlNumber: MFCD00052748
Smiles: FC(C1=CC(=O)N=N1)(F)F
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
AF58066
ChemicalName:
3-(Trifluoromethyl)-2-pyrazolin-5-one
CasNumber:
401-73-0
MolecularFormula:
C4HF3N2O
MolecularWeight:
150.0587
MdlNumber:
MFCD00052748
Smiles:
FC(C1=CC(=O)N=N1)(F)F
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: AF58067
ChemicalName: 6-Morpholin-4-ylpyrazine-2-carboxylic acid
CasNumber: 40262-73-5
MolecularFormula: C9H11N3O3
MolecularWeight: 209.2019
MdlNumber: MFCD00233274
Smiles: OC(=O)c1cncc(n1)N1CCOCC1
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AF58067
ChemicalName:
6-Morpholin-4-ylpyrazine-2-carboxylic acid
CasNumber:
40262-73-5
MolecularFormula:
C9H11N3O3
MolecularWeight:
209.2019
MdlNumber:
MFCD00233274
Smiles:
OC(=O)c1cncc(n1)N1CCOCC1
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.3
CatalogNumber: AF58069
ChemicalName: L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
CasNumber: 42438-90-4
MolecularFormula: C12H12N2O2
MolecularWeight: 216.2359
MdlNumber: MFCD00272641
Smiles: OC(=O)[C@H]1NCc2c(C1)c1ccccc1[nH]2
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: -1.2
CatalogNumber:
AF58069
ChemicalName:
L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
CasNumber:
42438-90-4
MolecularFormula:
C12H12N2O2
MolecularWeight:
216.2359
MdlNumber:
MFCD00272641
Smiles:
OC(=O)[C@H]1NCc2c(C1)c1ccccc1[nH]2
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
-1.2