AF57711
332187-56-1 | 3,3-Dimethoxycyclobutanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF57711
ChemicalName
3,3-Dimethoxycyclobutanecarboxylic acid
CasNumber
332187-56-1
MolecularFormula
C7H12O4
MolecularWeight
160.1678
MdlNumber
MFCD12755812
Smiles
COC1(OC)CC(C1)C(=O)O
Complexity
154
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.1
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CatalogNumber: AF57711
ChemicalName: 3,3-Dimethoxycyclobutanecarboxylic acid
CasNumber: 332187-56-1
MolecularFormula: C7H12O4
MolecularWeight: 160.1678
MdlNumber: MFCD12755812
Smiles: COC1(OC)CC(C1)C(=O)O
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AF57711
ChemicalName:
3,3-Dimethoxycyclobutanecarboxylic acid
CasNumber:
332187-56-1
MolecularFormula:
C7H12O4
MolecularWeight:
160.1678
MdlNumber:
MFCD12755812
Smiles:
COC1(OC)CC(C1)C(=O)O
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1(CN)CCN(CC1)C(=O)OC(C)(C)C
Complexity: 341
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1(CN)CCN(CC1)C(=O)OC(C)(C)C
Complexity:
341
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.3
CatalogNumber: AF57713
ChemicalName: 4-Bromoisoindolin-1-one
CasNumber: 337536-15-9
MolecularFormula: C8H6BrNO
MolecularWeight: 212.0433
MdlNumber: MFCD09701286
Smiles: O=C1NCc2c1cccc2Br
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
AF57713
ChemicalName:
4-Bromoisoindolin-1-one
CasNumber:
337536-15-9
MolecularFormula:
C8H6BrNO
MolecularWeight:
212.0433
MdlNumber:
MFCD09701286
Smiles:
O=C1NCc2c1cccc2Br
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: AF57714
ChemicalName: 3-Fluoro-2-thiophenecarboxylic acid
CasNumber: 32431-84-8
MolecularFormula: C5H3FO2S
MolecularWeight: 146.1395
MdlNumber: MFCD03426911
Smiles: OC(=O)c1sccc1F
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AF57714
ChemicalName:
3-Fluoro-2-thiophenecarboxylic acid
CasNumber:
32431-84-8
MolecularFormula:
C5H3FO2S
MolecularWeight:
146.1395
MdlNumber:
MFCD03426911
Smiles:
OC(=O)c1sccc1F
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6