AG22014
54474-50-9 | 2,4-Dimethyl-3-pyrrolepropionic acid
Manufacturer: A2B Chem
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CatalogNumber
AG22014
ChemicalName
2,4-Dimethyl-3-pyrrolepropionic acid
CasNumber
54474-50-9
MolecularFormula
C9H13NO2
MolecularWeight
167.205
MdlNumber
MFCD02684431
Smiles
OC(=O)CCc1c(C)c[nH]c1C
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AG22014
ChemicalName: 2,4-Dimethyl-3-pyrrolepropionic acid
CasNumber: 54474-50-9
MolecularFormula: C9H13NO2
MolecularWeight: 167.205
MdlNumber: MFCD02684431
Smiles: OC(=O)CCc1c(C)c[nH]c1C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AG22014
ChemicalName:
2,4-Dimethyl-3-pyrrolepropionic acid
CasNumber:
54474-50-9
MolecularFormula:
C9H13NO2
MolecularWeight:
167.205
MdlNumber:
MFCD02684431
Smiles:
OC(=O)CCc1c(C)c[nH]c1C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cnc(cn1)C(=O)N
Complexity: 137
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cnc(cn1)C(=O)N
Complexity:
137
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.3
CatalogNumber: AG22017
ChemicalName: 4-(3,5-Dimethylphenyl)benzoic acid
CasNumber: 505082-92-8
MolecularFormula: C15H14O2
MolecularWeight: 226.2705
MdlNumber: MFCD06201436
Smiles: OC(=O)c1ccc(cc1)c1cc(C)cc(c1)C
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.3
CatalogNumber:
AG22017
ChemicalName:
4-(3,5-Dimethylphenyl)benzoic acid
CasNumber:
505082-92-8
MolecularFormula:
C15H14O2
MolecularWeight:
226.2705
MdlNumber:
MFCD06201436
Smiles:
OC(=O)c1ccc(cc1)c1cc(C)cc(c1)C
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)Cc1ccccc1C(=O)O
Complexity: 262
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)Cc1ccccc1C(=O)O
Complexity:
262
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.2