AB46554
34957-73-8 | 9-Hydroxypelargonic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB46554
ChemicalName
9-Hydroxypelargonic acid methyl ester
CasNumber
34957-73-8
MolecularFormula
C10H20O3
MolecularWeight
188.264
MdlNumber
MFCD00191518
Smiles
OCCCCCCCCC(=O)OC
NscNumber
159261
Complexity
123
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
9
Xlogp3
2.1
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CatalogNumber: AB46554
ChemicalName: 9-Hydroxypelargonic acid methyl ester
CasNumber: 34957-73-8
MolecularFormula: C10H20O3
MolecularWeight: 188.264
MdlNumber: MFCD00191518
Smiles: OCCCCCCCCC(=O)OC
NscNumber: 159261
Complexity: 123
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 9
Xlogp3: 2.1
CatalogNumber:
AB46554
ChemicalName:
9-Hydroxypelargonic acid methyl ester
CasNumber:
34957-73-8
MolecularFormula:
C10H20O3
MolecularWeight:
188.264
MdlNumber:
MFCD00191518
Smiles:
OCCCCCCCCC(=O)OC
NscNumber:
159261
Complexity:
123
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
9
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccccc1N
NscNumber: __
Complexity: 147
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccccc1N
NscNumber:
__
Complexity:
147
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COS(=O)c1ccccc1
NscNumber: __
Complexity: 119
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COS(=O)c1ccccc1
NscNumber:
__
Complexity:
119
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COS(=O)(=O)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COS(=O)(=O)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__