AB49281
51939-71-0 | Chroman-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49281
ChemicalName
Chroman-2-carboxylic acid
CasNumber
51939-71-0
MolecularFormula
C10H10O3
MolecularWeight
178.1846
MdlNumber
MFCD00044719
Smiles
OC(=O)C1CCc2c(O1)cccc2
Complexity
202
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AB49281
ChemicalName: Chroman-2-carboxylic acid
CasNumber: 51939-71-0
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD00044719
Smiles: OC(=O)C1CCc2c(O1)cccc2
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AB49281
ChemicalName:
Chroman-2-carboxylic acid
CasNumber:
51939-71-0
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD00044719
Smiles:
OC(=O)C1CCc2c(O1)cccc2
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
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Smiles: OCCCCCCCCCCl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
OCCCCCCCCCCl
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: [O-]S(=O)(=O)c1ccccc1c1ccnc2c1ccc1c2nccc1c1ccccc1S(=O)(=O)[O-].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]S(=O)(=O)c1ccccc1c1ccnc2c1ccc1c2nccc1c1ccccc1S(=O)(=O)[O-].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CCCCCCCCCCCCCCCCOCCOCCOCCOCCO
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCCCCCCCCCCCCCOCCOCCOCCOCCO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__