AG37369
53631-77-9 | Isopropyl 3-hydroxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AG37369
ChemicalName
Isopropyl 3-hydroxybenzoate
CasNumber
53631-77-9
MolecularFormula
C10H12O3
MolecularWeight
180.2005
MdlNumber
MFCD08712957
Smiles
CC(OC(=O)c1cccc(c1)O)C
Complexity
177
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AG37369
ChemicalName: Isopropyl 3-hydroxybenzoate
CasNumber: 53631-77-9
MolecularFormula: C10H12O3
MolecularWeight: 180.2005
MdlNumber: MFCD08712957
Smiles: CC(OC(=O)c1cccc(c1)O)C
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AG37369
ChemicalName:
Isopropyl 3-hydroxybenzoate
CasNumber:
53631-77-9
MolecularFormula:
C10H12O3
MolecularWeight:
180.2005
MdlNumber:
MFCD08712957
Smiles:
CC(OC(=O)c1cccc(c1)O)C
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc2c(o1)ccc(c2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc2c(o1)ccc(c2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG37375
ChemicalName: tert-Butyl 4-cyanobenzoate
CasNumber: 55696-50-9
MolecularFormula: C12H13NO2
MolecularWeight: 203.2371
MdlNumber: MFCD11041298
Smiles: N#Cc1ccc(cc1)C(=O)OC(C)(C)C
Complexity: 274
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AG37375
ChemicalName:
tert-Butyl 4-cyanobenzoate
CasNumber:
55696-50-9
MolecularFormula:
C12H13NO2
MolecularWeight:
203.2371
MdlNumber:
MFCD11041298
Smiles:
N#Cc1ccc(cc1)C(=O)OC(C)(C)C
Complexity:
274
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.5