AV16385
70831-56-0 | L-Chicoric Acid
Manufacturer: A2B Chem
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CatalogNumber
AV16385
ChemicalName
L-Chicoric Acid
CasNumber
70831-56-0
MolecularFormula
C22H18O12
MolecularWeight
474.3711
MdlNumber
MFCD00189418
Smiles
O=C(OC(C(C(=O)O)OC(=O)C=Cc1ccc(c(c1)O)O)C(=O)O)C=Cc1ccc(c(c1)O)O
NscNumber
699173
Complexity
740
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
DefinedBondStereocenterCount
2
HeavyAtomCount
34
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
6
RotatableBondCount
11
Xlogp3
2
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CatalogNumber: AV16385
ChemicalName: L-Chicoric Acid
CasNumber: 70831-56-0
MolecularFormula: C22H18O12
MolecularWeight: 474.3711
MdlNumber: MFCD00189418
Smiles: O=C(OC(C(C(=O)O)OC(=O)C=Cc1ccc(c(c1)O)O)C(=O)O)C=Cc1ccc(c(c1)O)O
NscNumber: 699173
Complexity: 740
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
DefinedBondStereocenterCount: 2
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 6
RotatableBondCount: 11
Xlogp3: 2
CatalogNumber:
AV16385
ChemicalName:
L-Chicoric Acid
CasNumber:
70831-56-0
MolecularFormula:
C22H18O12
MolecularWeight:
474.3711
MdlNumber:
MFCD00189418
Smiles:
O=C(OC(C(C(=O)O)OC(=O)C=Cc1ccc(c(c1)O)O)C(=O)O)C=Cc1ccc(c(c1)O)O
NscNumber:
699173
Complexity:
740
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
DefinedBondStereocenterCount:
2
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
6
RotatableBondCount:
11
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: COc1ccc(cc1)CNC(=O)c1n(C)ncc1C(=O)O
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Complexity: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1ccc(cc1)CNC(=O)c1n(C)ncc1C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: Cn1ncc(c1C(=O)OC)C(=O)O
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Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Cn1ncc(c1C(=O)OC)C(=O)O
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COCOc1ccc(cc1)C#C[Si](C)(C)C
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Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCOc1ccc(cc1)C#C[Si](C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__