AF87859
36837-50-0 | Methyl 3-(3-(tert-butyl)-4-hydroxyphenyl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AF87859
ChemicalName
Methyl 3-(3-(tert-butyl)-4-hydroxyphenyl)propanoate
CasNumber
36837-50-0
MolecularFormula
C14H20O3
MolecularWeight
236.3068
MdlNumber
MFCD19441367
Smiles
COC(=O)CCc1ccc(c(c1)C(C)(C)C)O
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.3
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CatalogNumber: AF87859
ChemicalName: Methyl 3-(3-(tert-butyl)-4-hydroxyphenyl)propanoate
CasNumber: 36837-50-0
MolecularFormula: C14H20O3
MolecularWeight: 236.3068
MdlNumber: MFCD19441367
Smiles: COC(=O)CCc1ccc(c(c1)C(C)(C)C)O
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.3
CatalogNumber:
AF87859
ChemicalName:
Methyl 3-(3-(tert-butyl)-4-hydroxyphenyl)propanoate
CasNumber:
36837-50-0
MolecularFormula:
C14H20O3
MolecularWeight:
236.3068
MdlNumber:
MFCD19441367
Smiles:
COC(=O)CCc1ccc(c(c1)C(C)(C)C)O
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(CC(=O)O)c(cc1OC)C(=O)O
Complexity: 290
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(CC(=O)O)c(cc1OC)C(=O)O
Complexity:
290
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C)(C)C1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C)O)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C)(C)C1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C)O)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(C(=O)OCC)C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(C(=O)OCC)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__