AB47567
10602-00-3 | 4-Ethynylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB47567
ChemicalName
4-Ethynylbenzoic acid
CasNumber
10602-00-3
MolecularFormula
C9H6O2
MolecularWeight
146.1427
MdlNumber
MFCD00168819
Smiles
C#Cc1ccc(cc1)C(=O)O
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AB47567
ChemicalName: 4-Ethynylbenzoic acid
CasNumber: 10602-00-3
MolecularFormula: C9H6O2
MolecularWeight: 146.1427
MdlNumber: MFCD00168819
Smiles: C#Cc1ccc(cc1)C(=O)O
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AB47567
ChemicalName:
4-Ethynylbenzoic acid
CasNumber:
10602-00-3
MolecularFormula:
C9H6O2
MolecularWeight:
146.1427
MdlNumber:
MFCD00168819
Smiles:
C#Cc1ccc(cc1)C(=O)O
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC(C)(C)C
Complexity: 77.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC(C)(C)C
Complexity:
77.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=C(Nc1c(C)cccc1C)Nc1c(C)cccc1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=C(Nc1c(C)cccc1C)Nc1c(C)cccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCc2c(N1)ccc(c2)C(=O)O
Complexity: 264
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCc2c(N1)ccc(c2)C(=O)O
Complexity:
264
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6