AC02839
88755-16-2 | Oxo(3,4,5-trimethoxyphenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AC02839
ChemicalName
Oxo(3,4,5-trimethoxyphenyl)acetic acid
CasNumber
88755-16-2
MolecularFormula
C11H12O6
MolecularWeight
240.20938000000004
MdlNumber
MFCD03844682
Smiles
COc1cc(cc(c1OC)OC)C(=O)C(=O)O
Complexity
276
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.2
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CatalogNumber: AC02839
ChemicalName: Oxo(3,4,5-trimethoxyphenyl)acetic acid
CasNumber: 88755-16-2
MolecularFormula: C11H12O6
MolecularWeight: 240.20938000000004
MdlNumber: MFCD03844682
Smiles: COc1cc(cc(c1OC)OC)C(=O)C(=O)O
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.2
CatalogNumber:
AC02839
ChemicalName:
Oxo(3,4,5-trimethoxyphenyl)acetic acid
CasNumber:
88755-16-2
MolecularFormula:
C11H12O6
MolecularWeight:
240.20938000000004
MdlNumber:
MFCD03844682
Smiles:
COc1cc(cc(c1OC)OC)C(=O)C(=O)O
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.2
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Smiles: COc1ccc2c(c1)cc1c(n2)c(C=O)cn(c1=O)C
Complexity: __
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Smiles:
COc1ccc2c(c1)cc1c(n2)c(C=O)cn(c1=O)C
Complexity:
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Smiles: OC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)C(=C)C
Complexity: __
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Smiles:
OC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)C(=C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: Cc1ccc(cc1)c1c[nH]nc1N1CCOCC1
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Cc1ccc(cc1)c1c[nH]nc1N1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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