AI65301
96517-92-9 | Bis-PEG3-acid
Manufacturer: A2B Chem
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CatalogNumber
AI65301
ChemicalName
Bis-PEG3-acid
CasNumber
96517-92-9
MolecularFormula
C10H18O7
MolecularWeight
250.2457
MdlNumber
MFCD22056316
Smiles
OC(=O)CCOCCOCCOCCC(=O)O
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
12
Xlogp3
-1.2
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CatalogNumber: AI65301
ChemicalName: Bis-PEG3-acid
CasNumber: 96517-92-9
MolecularFormula: C10H18O7
MolecularWeight: 250.2457
MdlNumber: MFCD22056316
Smiles: OC(=O)CCOCCOCCOCCC(=O)O
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 12
Xlogp3: -1.2
CatalogNumber:
AI65301
ChemicalName:
Bis-PEG3-acid
CasNumber:
96517-92-9
MolecularFormula:
C10H18O7
MolecularWeight:
250.2457
MdlNumber:
MFCD22056316
Smiles:
OC(=O)CCOCCOCCOCCC(=O)O
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
12
Xlogp3:
-1.2
CatalogNumber: AI65302
ChemicalName: Methyl(p-formylphenyl)acetate
CasNumber: 96524-70-8
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD17018734
Smiles: COC(=O)Cc1ccc(cc1)C=O
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.3
CatalogNumber:
AI65302
ChemicalName:
Methyl(p-formylphenyl)acetate
CasNumber:
96524-70-8
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD17018734
Smiles:
COC(=O)Cc1ccc(cc1)C=O
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.3
CatalogNumber: AI65303
ChemicalName: Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate
CasNumber: 96530-57-3
MolecularFormula: C6H7NO4
MolecularWeight: 157.1241
MdlNumber: MFCD18833115
Smiles: COC(=O)CC1=NOC(=O)C1
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 0.1
CatalogNumber:
AI65303
ChemicalName:
Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate
CasNumber:
96530-57-3
MolecularFormula:
C6H7NO4
MolecularWeight:
157.1241
MdlNumber:
MFCD18833115
Smiles:
COC(=O)CC1=NOC(=O)C1
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccnc(n1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccnc(n1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__