AI52125
5409-31-4 | 3,4-Diethoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI52125
ChemicalName
3,4-Diethoxybenzoic acid
CasNumber
5409-31-4
MolecularFormula
C11H14O4
MolecularWeight
210.2265
MdlNumber
MFCD00002504
Smiles
CCOc1cc(ccc1OCC)C(=O)O
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.4
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CatalogNumber: AI52125
ChemicalName: 3,4-Diethoxybenzoic acid
CasNumber: 5409-31-4
MolecularFormula: C11H14O4
MolecularWeight: 210.2265
MdlNumber: MFCD00002504
Smiles: CCOc1cc(ccc1OCC)C(=O)O
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.4
CatalogNumber:
AI52125
ChemicalName:
3,4-Diethoxybenzoic acid
CasNumber:
5409-31-4
MolecularFormula:
C11H14O4
MolecularWeight:
210.2265
MdlNumber:
MFCD00002504
Smiles:
CCOc1cc(ccc1OCC)C(=O)O
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(C[N+](C)(C)C)CC(=O)[O-]
Complexity: 134
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(C[N+](C)(C)C)CC(=O)[O-]
Complexity:
134
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.2
CatalogNumber: AI52127
ChemicalName: Muscone
CasNumber: 541-91-3
MolecularFormula: C16H30O
MolecularWeight: 238.4088
MdlNumber: MFCD00211114
Smiles: CC1CCCCCCCCCCCCC(=O)C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI52127
ChemicalName:
Muscone
CasNumber:
541-91-3
MolecularFormula:
C16H30O
MolecularWeight:
238.4088
MdlNumber:
MFCD00211114
Smiles:
CC1CCCCCCCCCCCCC(=O)C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1(C)CCc2c(C1=O)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1(C)CCc2c(C1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__