AB49998
40155-47-3 | 3-Methoxypyrazine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49998
ChemicalName
3-Methoxypyrazine-2-carboxylic acid
CasNumber
40155-47-3
MolecularFormula
C6H6N2O3
MolecularWeight
154.1234
MdlNumber
MFCD10697766
Smiles
COc1nccnc1C(=O)O
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.1
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CatalogNumber: AB49998
ChemicalName: 3-Methoxypyrazine-2-carboxylic acid
CasNumber: 40155-47-3
MolecularFormula: C6H6N2O3
MolecularWeight: 154.1234
MdlNumber: MFCD10697766
Smiles: COc1nccnc1C(=O)O
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AB49998
ChemicalName:
3-Methoxypyrazine-2-carboxylic acid
CasNumber:
40155-47-3
MolecularFormula:
C6H6N2O3
MolecularWeight:
154.1234
MdlNumber:
MFCD10697766
Smiles:
COc1nccnc1C(=O)O
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: AB49999
ChemicalName: 4,4'-Thiobisbenzenethiol
CasNumber: 19362-77-7
MolecularFormula: C12H10S3
MolecularWeight: 250.4028
MdlNumber: MFCD00142119
Smiles: Sc1ccc(cc1)Sc1ccc(cc1)S
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 4.4
CatalogNumber:
AB49999
ChemicalName:
4,4'-Thiobisbenzenethiol
CasNumber:
19362-77-7
MolecularFormula:
C12H10S3
MolecularWeight:
250.4028
MdlNumber:
MFCD00142119
Smiles:
Sc1ccc(cc1)Sc1ccc(cc1)S
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
4.4
CatalogNumber: AB50000
ChemicalName: Methyl 3,3,3-trifluoro-2,2-dimethylpropanoate
CasNumber: 1188911-72-9
MolecularFormula: C6H9F3O2
MolecularWeight: 170.1297
MdlNumber: MFCD18253569
Smiles: COC(=O)C(C(F)(F)F)(C)C
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB50000
ChemicalName:
Methyl 3,3,3-trifluoro-2,2-dimethylpropanoate
CasNumber:
1188911-72-9
MolecularFormula:
C6H9F3O2
MolecularWeight:
170.1297
MdlNumber:
MFCD18253569
Smiles:
COC(=O)C(C(F)(F)F)(C)C
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C=C1CCN(CC1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C=C1CCN(CC1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__