AH95135
87151-66-4 | 3-(1,4-Cyclohexadien-1-yl)-1-propanol
Manufacturer: A2B Chem
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CatalogNumber
AH95135
ChemicalName
3-(1,4-Cyclohexadien-1-yl)-1-propanol
CasNumber
87151-66-4
MolecularFormula
C9H14O
MolecularWeight
138.20685999999998
MdlNumber
MFCD12407081
Smiles
OCCCC1=CCC=CC1
Complexity
145
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AH95135
ChemicalName: 3-(1,4-Cyclohexadien-1-yl)-1-propanol
CasNumber: 87151-66-4
MolecularFormula: C9H14O
MolecularWeight: 138.20685999999998
MdlNumber: MFCD12407081
Smiles: OCCCC1=CCC=CC1
Complexity: 145
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AH95135
ChemicalName:
3-(1,4-Cyclohexadien-1-yl)-1-propanol
CasNumber:
87151-66-4
MolecularFormula:
C9H14O
MolecularWeight:
138.20685999999998
MdlNumber:
MFCD12407081
Smiles:
OCCCC1=CCC=CC1
Complexity:
145
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#C[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#C[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H]1CC[C@H](CC1)C#N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H]1CC[C@H](CC1)C#N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(c(c1)F)B(O)O)N1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(c(c1)F)B(O)O)N1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__