AB65828
1080-12-2 | 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB65828
ChemicalName
4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
CasNumber
1080-12-2
MolecularFormula
C11H12O3
MolecularWeight
192.2112
MdlNumber
MFCD00012210
Smiles
COc1cc(/C=C/C(=O)C)ccc1O
Complexity
223
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AB65828
ChemicalName: 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
CasNumber: 1080-12-2
MolecularFormula: C11H12O3
MolecularWeight: 192.2112
MdlNumber: MFCD00012210
Smiles: COc1cc(/C=C/C(=O)C)ccc1O
Complexity: 223
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AB65828
ChemicalName:
4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
CasNumber:
1080-12-2
MolecularFormula:
C11H12O3
MolecularWeight:
192.2112
MdlNumber:
MFCD00012210
Smiles:
COc1cc(/C=C/C(=O)C)ccc1O
Complexity:
223
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCCN1CCS(=O)(=O)CC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCCCN1CCS(=O)(=O)CC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB65830
ChemicalName: 4-(4-Hydroxyphenoxy)benzoic acid
CasNumber: 500-76-5
MolecularFormula: C13H10O4
MolecularWeight: 230.2161
MdlNumber: MFCD00059645
Smiles: Oc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Complexity: 250
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AB65830
ChemicalName:
4-(4-Hydroxyphenoxy)benzoic acid
CasNumber:
500-76-5
MolecularFormula:
C13H10O4
MolecularWeight:
230.2161
MdlNumber:
MFCD00059645
Smiles:
Oc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Complexity:
250
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)CCc1ccc(cc1)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)CCc1ccc(cc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__