AB54520
952616-39-6 | Z-1,3-Cis-Achc-OH
Manufacturer: A2B Chem
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CatalogNumber
AB54520
ChemicalName
Z-1,3-Cis-Achc-OH
CasNumber
952616-39-6
MolecularFormula
C15H19NO4
MolecularWeight
277.3157
MdlNumber
MFCD06796902
Smiles
O=C(N[C@@H]1CCC[C@@H](C1)C(=O)O)OCc1ccccc1
Complexity
339
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
2
Xlogp3
2.2
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CatalogNumber: AB54520
ChemicalName: Z-1,3-Cis-Achc-OH
CasNumber: 952616-39-6
MolecularFormula: C15H19NO4
MolecularWeight: 277.3157
MdlNumber: MFCD06796902
Smiles: O=C(N[C@@H]1CCC[C@@H](C1)C(=O)O)OCc1ccccc1
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.2
CatalogNumber:
AB54520
ChemicalName:
Z-1,3-Cis-Achc-OH
CasNumber:
952616-39-6
MolecularFormula:
C15H19NO4
MolecularWeight:
277.3157
MdlNumber:
MFCD06796902
Smiles:
O=C(N[C@@H]1CCC[C@@H](C1)C(=O)O)OCc1ccccc1
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC[C@@H](CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CC[C@@H](CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularWeight: __
MdlNumber: __
Smiles: CC([C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)N(C)C.[CH]1[CH][CH][CH][CH]1.O.[Fe]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC([C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)N(C)C.[CH]1[CH][CH][CH][CH]1.O.[Fe]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__