AD53749
1424-74-4 | 3-(3-Hydroxy-propyl)-phenol
Manufacturer: A2B Chem
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CatalogNumber
AD53749
ChemicalName
3-(3-Hydroxy-propyl)-phenol
CasNumber
1424-74-4
MolecularFormula
C9H12O2
MolecularWeight
152.1904
MdlNumber
MFCD09028718
Smiles
OCCCc1cccc(c1)O
Complexity
104
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AD53749
ChemicalName: 3-(3-Hydroxy-propyl)-phenol
CasNumber: 1424-74-4
MolecularFormula: C9H12O2
MolecularWeight: 152.1904
MdlNumber: MFCD09028718
Smiles: OCCCc1cccc(c1)O
Complexity: 104
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AD53749
ChemicalName:
3-(3-Hydroxy-propyl)-phenol
CasNumber:
1424-74-4
MolecularFormula:
C9H12O2
MolecularWeight:
152.1904
MdlNumber:
MFCD09028718
Smiles:
OCCCc1cccc(c1)O
Complexity:
104
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O[C@H]([C@@H](c1ccccc1)NC1CCCCC1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
O[C@H]([C@@H](c1ccccc1)NC1CCCCC1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COS(=O)(=O)[O-])Oc1ccc2c(c1)oc(=O)cc2C.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COS(=O)(=O)[O-])Oc1ccc2c(c1)oc(=O)cc2C.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC=Cc1ccc(c(c1)Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC=Cc1ccc(c(c1)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__