AB72224
458-35-5 | 4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenol
Manufacturer: A2B Chem
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CatalogNumber
AB72224
ChemicalName
4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenol
CasNumber
458-35-5
MolecularFormula
C10H12O3
MolecularWeight
180.2005
MdlNumber
MFCD00002922
Smiles
OC/C=C/c1ccc(c(c1)OC)O
Complexity
168
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AB72224
ChemicalName: 4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenol
CasNumber: 458-35-5
MolecularFormula: C10H12O3
MolecularWeight: 180.2005
MdlNumber: MFCD00002922
Smiles: OC/C=C/c1ccc(c(c1)OC)O
Complexity: 168
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AB72224
ChemicalName:
4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenol
CasNumber:
458-35-5
MolecularFormula:
C10H12O3
MolecularWeight:
180.2005
MdlNumber:
MFCD00002922
Smiles:
OC/C=C/c1ccc(c(c1)OC)O
Complexity:
168
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC/[N+](=C/1C=C/C(=C(/c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)[O-])CC)c2ccc(cc2)N(CC)CC)/C=C1)/Cc1cccc(c1)S(=O)(=O)[O-].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
__
Smiles:
CC/[N+](=C/1C=C/C(=C(/c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)[O-])CC)c2ccc(cc2)N(CC)CC)/C=C1)/Cc1cccc(c1)S(=O)(=O)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC1C(F)C(F)C2C(C1F)C1=NC3=C4[C](F)C(=C(C(=C4C4=[N-]3[Cu+2]35N1C2N=C1[N-]5C(=NC2N3C(=N4)C3C2C(F)C(C(C3F)F)F)c2c1c(F)c(F)c(c2F)F)F)F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC1C(F)C(F)C2C(C1F)C1=NC3=C4[C](F)C(=C(C(=C4C4=[N-]3[Cu+2]35N1C2N=C1[N-]5C(=NC2N3C(=N4)C3C2C(F)C(C(C3F)F)F)c2c1c(F)c(F)c(c2F)F)F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [Cu+2].[OH-].[OH-].O.O.[AlH3].[AlH3]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[Cu+2].[OH-].[OH-].O.O.[AlH3].[AlH3]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__