AB47665
22139-77-1 | Pinosylvin
Manufacturer: A2B Chem
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CatalogNumber
AB47665
ChemicalName
Pinosylvin
CasNumber
22139-77-1
MolecularFormula
C14H12O2
MolecularWeight
212.2439
MdlNumber
MFCD00210544
Smiles
Oc1cc(/C=C/c2ccccc2)cc(c1)O
NscNumber
362430
Complexity
221
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AB47665
ChemicalName: Pinosylvin
CasNumber: 22139-77-1
MolecularFormula: C14H12O2
MolecularWeight: 212.2439
MdlNumber: MFCD00210544
Smiles: Oc1cc(/C=C/c2ccccc2)cc(c1)O
NscNumber: 362430
Complexity: 221
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AB47665
ChemicalName:
Pinosylvin
CasNumber:
22139-77-1
MolecularFormula:
C14H12O2
MolecularWeight:
212.2439
MdlNumber:
MFCD00210544
Smiles:
Oc1cc(/C=C/c2ccccc2)cc(c1)O
NscNumber:
362430
Complexity:
221
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1nc(nc(n1)OC)[N+]1(C)CCOCC1.[Cl-]
NscNumber: __
Complexity: 236
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1nc(nc(n1)OC)[N+]1(C)CCOCC1.[Cl-]
NscNumber:
__
Complexity:
236
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)c1ccc(c(c1)C(=O)N)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1ccc(c(c1)C(=O)N)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(CC(C(=O)OC)C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(CC(C(=O)OC)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__