AB49280
3697-68-5 | 1-Hydroxymethyl-cyclopropanecarboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB49280
ChemicalName
1-Hydroxymethyl-cyclopropanecarboxylic acid ethyl ester
CasNumber
3697-68-5
MolecularFormula
C7H12O3
MolecularWeight
144.1684
MdlNumber
MFCD09759206
Smiles
CCOC(=O)C1(CO)CC1
Complexity
138
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.1
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CatalogNumber: AB49280
ChemicalName: 1-Hydroxymethyl-cyclopropanecarboxylic acid ethyl ester
CasNumber: 3697-68-5
MolecularFormula: C7H12O3
MolecularWeight: 144.1684
MdlNumber: MFCD09759206
Smiles: CCOC(=O)C1(CO)CC1
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.1
CatalogNumber:
AB49280
ChemicalName:
1-Hydroxymethyl-cyclopropanecarboxylic acid ethyl ester
CasNumber:
3697-68-5
MolecularFormula:
C7H12O3
MolecularWeight:
144.1684
MdlNumber:
MFCD09759206
Smiles:
CCOC(=O)C1(CO)CC1
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.1
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
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
Xlogp3:
1.9
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Smiles: OCCCCCCCCCCl
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Smiles:
OCCCCCCCCCCl
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Smiles: [O-]S(=O)(=O)c1ccccc1c1ccnc2c1ccc1c2nccc1c1ccccc1S(=O)(=O)[O-].[Na+].[Na+]
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Smiles:
[O-]S(=O)(=O)c1ccccc1c1ccnc2c1ccc1c2nccc1c1ccccc1S(=O)(=O)[O-].[Na+].[Na+]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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