AE62196
1261952-35-5 | 2-(Furan-2-yl)-6-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62196
ChemicalName
2-(Furan-2-yl)-6-methylbenzoic acid
CasNumber
1261952-35-5
MolecularFormula
C12H10O3
MolecularWeight
202.206
MdlNumber
MFCD18318820
Smiles
OC(=O)c1c(C)cccc1c1ccco1
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AE62196
ChemicalName: 2-(Furan-2-yl)-6-methylbenzoic acid
CasNumber: 1261952-35-5
MolecularFormula: C12H10O3
MolecularWeight: 202.206
MdlNumber: MFCD18318820
Smiles: OC(=O)c1c(C)cccc1c1ccco1
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AE62196
ChemicalName:
2-(Furan-2-yl)-6-methylbenzoic acid
CasNumber:
1261952-35-5
MolecularFormula:
C12H10O3
MolecularWeight:
202.206
MdlNumber:
MFCD18318820
Smiles:
OC(=O)c1c(C)cccc1c1ccco1
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: AE62197
ChemicalName: 3-(4-Hydroxymethylphenyl)picolinic acid
CasNumber: 1261896-71-2
MolecularFormula: C13H11NO3
MolecularWeight: 229.2313
MdlNumber: MFCD18316938
Smiles: OCc1ccc(cc1)c1cccnc1C(=O)O
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AE62197
ChemicalName:
3-(4-Hydroxymethylphenyl)picolinic acid
CasNumber:
1261896-71-2
MolecularFormula:
C13H11NO3
MolecularWeight:
229.2313
MdlNumber:
MFCD18316938
Smiles:
OCc1ccc(cc1)c1cccnc1C(=O)O
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AE62198
ChemicalName: Bicyclo[2.2.1]hept-2-en-2-ylboronic acid pinacol ester
CasNumber: 1219021-46-1
MolecularFormula: C13H21BO2
MolecularWeight: 220.1156
MdlNumber: MFCD27940046
Smiles: CC1(C)OB(OC1(C)C)C1=C[C@@H]2C[C@H]1CC2
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AE62198
ChemicalName:
Bicyclo[2.2.1]hept-2-en-2-ylboronic acid pinacol ester
CasNumber:
1219021-46-1
MolecularFormula:
C13H21BO2
MolecularWeight:
220.1156
MdlNumber:
MFCD27940046
Smiles:
CC1(C)OB(OC1(C)C)C1=C[C@@H]2C[C@H]1CC2
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ccc(cc1)c1cccnc1C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc(cc1)c1cccnc1C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__