AB13104
1917-15-3 | 5-Methyl-2-furoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB13104
ChemicalName
5-Methyl-2-furoic acid
CasNumber
1917-15-3
MolecularFormula
C6H6O3
MolecularWeight
126.11004
MdlNumber
MFCD00092359
Smiles
Cc1ccc(o1)C(=O)O
NscNumber
35552
Complexity
122
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AB13104
ChemicalName: 5-Methyl-2-furoic acid
CasNumber: 1917-15-3
MolecularFormula: C6H6O3
MolecularWeight: 126.11004
MdlNumber: MFCD00092359
Smiles: Cc1ccc(o1)C(=O)O
NscNumber: 35552
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AB13104
ChemicalName:
5-Methyl-2-furoic acid
CasNumber:
1917-15-3
MolecularFormula:
C6H6O3
MolecularWeight:
126.11004
MdlNumber:
MFCD00092359
Smiles:
Cc1ccc(o1)C(=O)O
NscNumber:
35552
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccncc1C(=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccncc1C(=O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB13109
ChemicalName: 2-(1H-Pyrazol-1-yl)propan-1-ol
CasNumber: 191725-73-2
MolecularFormula: C6H10N2O
MolecularWeight: 126.1564
MdlNumber: MFCD09864511
Smiles: OCC(n1cccn1)C
NscNumber: __
Complexity: 87.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AB13109
ChemicalName:
2-(1H-Pyrazol-1-yl)propan-1-ol
CasNumber:
191725-73-2
MolecularFormula:
C6H10N2O
MolecularWeight:
126.1564
MdlNumber:
MFCD09864511
Smiles:
OCC(n1cccn1)C
NscNumber:
__
Complexity:
87.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: AB13110
ChemicalName: 4-(3-Trifluoromethylphenyl)phenol
CasNumber: 191724-12-6
MolecularFormula: C13H9F3O
MolecularWeight: 238.2052
MdlNumber: MFCD06801898
Smiles: Oc1ccc(cc1)c1cccc(c1)C(F)(F)F
NscNumber: __
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 4.1
CatalogNumber:
AB13110
ChemicalName:
4-(3-Trifluoromethylphenyl)phenol
CasNumber:
191724-12-6
MolecularFormula:
C13H9F3O
MolecularWeight:
238.2052
MdlNumber:
MFCD06801898
Smiles:
Oc1ccc(cc1)c1cccc(c1)C(F)(F)F
NscNumber:
__
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
4.1