AH86679
88206-46-6 | Notopterol
Manufacturer: A2B Chem
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CatalogNumber
AH86679
ChemicalName
Notopterol
CasNumber
88206-46-6
MolecularFormula
C21H22O5
MolecularWeight
354.3963799999999
MdlNumber
MFCD23701669
Smiles
C/C(=C\COc1c2ccoc2cc2c1ccc(=O)o2)/CC(C=C(C)C)O
Complexity
602
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
4.5
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CatalogNumber: AH86679
ChemicalName: Notopterol
CasNumber: 88206-46-6
MolecularFormula: C21H22O5
MolecularWeight: 354.3963799999999
MdlNumber: MFCD23701669
Smiles: C/C(=C\COc1c2ccoc2cc2c1ccc(=O)o2)/CC(C=C(C)C)O
Complexity: 602
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.5
CatalogNumber:
AH86679
ChemicalName:
Notopterol
CasNumber:
88206-46-6
MolecularFormula:
C21H22O5
MolecularWeight:
354.3963799999999
MdlNumber:
MFCD23701669
Smiles:
C/C(=C\COc1c2ccoc2cc2c1ccc(=O)o2)/CC(C=C(C)C)O
Complexity:
602
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.5
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Smiles: C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)[O-])O)O)O)C(=O)[O-])O)O.[K+].[K+]
Complexity: __
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HeavyAtomCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)[O-])O)O)O)C(=O)[O-])O)O.[K+].[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: CC(C)CCCCCCCCCCCCCCC(=O)O.C(CO)N(CCO)CCO
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C)CCCCCCCCCCCCCCC(=O)O.C(CO)N(CCO)CCO
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__