AB14574
1879-58-9 | (3-Cyanophenoxy)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB14574
ChemicalName
(3-Cyanophenoxy)acetic acid
CasNumber
1879-58-9
MolecularFormula
C9H7NO3
MolecularWeight
177.1568
MdlNumber
MFCD00516888
Smiles
N#Cc1cccc(c1)OCC(=O)O
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.9
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CatalogNumber: AB14574
ChemicalName: (3-Cyanophenoxy)acetic acid
CasNumber: 1879-58-9
MolecularFormula: C9H7NO3
MolecularWeight: 177.1568
MdlNumber: MFCD00516888
Smiles: N#Cc1cccc(c1)OCC(=O)O
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.9
CatalogNumber:
AB14574
ChemicalName:
(3-Cyanophenoxy)acetic acid
CasNumber:
1879-58-9
MolecularFormula:
C9H7NO3
MolecularWeight:
177.1568
MdlNumber:
MFCD00516888
Smiles:
N#Cc1cccc(c1)OCC(=O)O
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)COc1ccccc1Br
Complexity: 160
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)COc1ccccc1Br
Complexity:
160
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)SC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)SC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C)c(c(c1)C(C)(C)C)O
Complexity: 169
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(C)c(c(c1)C(C)(C)C)O
Complexity:
169
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4