AC88783
70598-03-7 | (1,3,5-Trimethyl-1h-pyrazol-4-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AC88783
ChemicalName
(1,3,5-Trimethyl-1h-pyrazol-4-yl)acetic acid
CasNumber
70598-03-7
MolecularFormula
C8H12N2O2
MolecularWeight
168.1931
MdlNumber
MFCD08444355
Smiles
OC(=O)Cc1c(C)nn(c1C)C
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.5
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CatalogNumber: AC88783
ChemicalName: (1,3,5-Trimethyl-1h-pyrazol-4-yl)acetic acid
CasNumber: 70598-03-7
MolecularFormula: C8H12N2O2
MolecularWeight: 168.1931
MdlNumber: MFCD08444355
Smiles: OC(=O)Cc1c(C)nn(c1C)C
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AC88783
ChemicalName:
(1,3,5-Trimethyl-1h-pyrazol-4-yl)acetic acid
CasNumber:
70598-03-7
MolecularFormula:
C8H12N2O2
MolecularWeight:
168.1931
MdlNumber:
MFCD08444355
Smiles:
OC(=O)Cc1c(C)nn(c1C)C
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCc1ncc(o1)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)CCc1ncc(o1)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: NC(=O)c1cccc(c1O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1cccc(c1O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: CNC(=O)[C@@H]1C[C@@H]2C[C@H]([C@]1(C)NC(=O)OC(C)(C)C)C2(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)[C@@H]1C[C@@H]2C[C@H]([C@]1(C)NC(=O)OC(C)(C)C)C2(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__