AB67687
83590-77-6 | 4-Hydroxymethyl-3-methoxyphenoxyacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB67687
ChemicalName
4-Hydroxymethyl-3-methoxyphenoxyacetic acid
CasNumber
83590-77-6
MolecularFormula
C10H12O5
MolecularWeight
212.1993
MdlNumber
MFCD00134896
Smiles
COc1cc(OCC(=O)O)ccc1CO
Complexity
206
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
0.6
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CatalogNumber: AB67687
ChemicalName: 4-Hydroxymethyl-3-methoxyphenoxyacetic acid
CasNumber: 83590-77-6
MolecularFormula: C10H12O5
MolecularWeight: 212.1993
MdlNumber: MFCD00134896
Smiles: COc1cc(OCC(=O)O)ccc1CO
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 0.6
CatalogNumber:
AB67687
ChemicalName:
4-Hydroxymethyl-3-methoxyphenoxyacetic acid
CasNumber:
83590-77-6
MolecularFormula:
C10H12O5
MolecularWeight:
212.1993
MdlNumber:
MFCD00134896
Smiles:
COc1cc(OCC(=O)O)ccc1CO
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
0.6
CatalogNumber: AB67688
ChemicalName: 4-(Hydroxymethyl)cyclohexanol
CasNumber: 33893-85-5
MolecularFormula: C7H14O2
MolecularWeight: 130.18486
MdlNumber: MFCD11036248
Smiles: OCC1CCC(CC1)O
Complexity: 75
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AB67688
ChemicalName:
4-(Hydroxymethyl)cyclohexanol
CasNumber:
33893-85-5
MolecularFormula:
C7H14O2
MolecularWeight:
130.18486
MdlNumber:
MFCD11036248
Smiles:
OCC1CCC(CC1)O
Complexity:
75
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: AB67689
ChemicalName: 4-hydroxynicotinic acid
CasNumber: 609-70-1
MolecularFormula: C6H5NO3
MolecularWeight: 139.1088
MdlNumber: MFCD00040286
Smiles: OC(=O)c1cnccc1O
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AB67689
ChemicalName:
4-hydroxynicotinic acid
CasNumber:
609-70-1
MolecularFormula:
C6H5NO3
MolecularWeight:
139.1088
MdlNumber:
MFCD00040286
Smiles:
OC(=O)c1cnccc1O
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.4
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Smiles: CCCCCCCC(=O)c1ccc(cc1)O
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
CCCCCCCC(=O)c1ccc(cc1)O
Complexity:
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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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