AG29568
52786-67-1 | 2-(2-Cyano-4-methoxyphenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AG29568
ChemicalName
2-(2-Cyano-4-methoxyphenyl)acetic acid
CasNumber
52786-67-1
MolecularFormula
C10H9NO3
MolecularWeight
191.1834
MdlNumber
MFCD18394271
Smiles
N#Cc1cc(OC)ccc1CC(=O)O
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AG29568
ChemicalName: 2-(2-Cyano-4-methoxyphenyl)acetic acid
CasNumber: 52786-67-1
MolecularFormula: C10H9NO3
MolecularWeight: 191.1834
MdlNumber: MFCD18394271
Smiles: N#Cc1cc(OC)ccc1CC(=O)O
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AG29568
ChemicalName:
2-(2-Cyano-4-methoxyphenyl)acetic acid
CasNumber:
52786-67-1
MolecularFormula:
C10H9NO3
MolecularWeight:
191.1834
MdlNumber:
MFCD18394271
Smiles:
N#Cc1cc(OC)ccc1CC(=O)O
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1CC(=O)O)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1CC(=O)O)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG29570
ChemicalName: 2-[(4-Chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CasNumber: 475250-49-8
MolecularFormula: C13H18BClO2
MolecularWeight: 252.5448
MdlNumber: MFCD10698531
Smiles: CC1(C)OB(OC1(C)C)Cc1ccc(cc1)Cl
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AG29570
ChemicalName:
2-[(4-Chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CasNumber:
475250-49-8
MolecularFormula:
C13H18BClO2
MolecularWeight:
252.5448
MdlNumber:
MFCD10698531
Smiles:
CC1(C)OB(OC1(C)C)Cc1ccc(cc1)Cl
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(Oc1ccccc1O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(Oc1ccccc1O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__