AB53309
1177318-00-1 | (1-Methyl-1h-pyrazol-3-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB53309
ChemicalName
(1-Methyl-1h-pyrazol-3-yl)acetic acid
CasNumber
1177318-00-1
MolecularFormula
C6H8N2O2
MolecularWeight
140.1399
MdlNumber
MFCD12028051
Smiles
Cn1ccc(n1)CC(=O)O
Complexity
138
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.3
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CatalogNumber: AB53309
ChemicalName: (1-Methyl-1h-pyrazol-3-yl)acetic acid
CasNumber: 1177318-00-1
MolecularFormula: C6H8N2O2
MolecularWeight: 140.1399
MdlNumber: MFCD12028051
Smiles: Cn1ccc(n1)CC(=O)O
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AB53309
ChemicalName:
(1-Methyl-1h-pyrazol-3-yl)acetic acid
CasNumber:
1177318-00-1
MolecularFormula:
C6H8N2O2
MolecularWeight:
140.1399
MdlNumber:
MFCD12028051
Smiles:
Cn1ccc(n1)CC(=O)O
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1nn[nH]c1)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
FC(c1nn[nH]c1)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: c1ncn(c1)[B-](n1cncc1)(n1cncc1)n1cncc1.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
c1ncn(c1)[B-](n1cncc1)(n1cncc1)n1cncc1.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc2-c3c(C(c2c1)(C)C)cc(cc3)B1OC(C(O1)(C)C)(C)C
Complexity: 603
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc2-c3c(C(c2c1)(C)C)cc(cc3)B1OC(C(O1)(C)C)(C)C
Complexity:
603
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__