AV18345
22621-30-3 | 4-Hydroxy-5,5-dimethylfuran-2(5H)-one
Manufacturer: A2B Chem
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CatalogNumber
AV18345
ChemicalName
4-Hydroxy-5,5-dimethylfuran-2(5H)-one
CasNumber
22621-30-3
MolecularFormula
C6H8O3
MolecularWeight
128.1259
MdlNumber
MFCD27947705
Smiles
O=C1C=C(C(O1)(C)C)O
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
Xlogp3
0.2
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CatalogNumber: AV18345
ChemicalName: 4-Hydroxy-5,5-dimethylfuran-2(5H)-one
CasNumber: 22621-30-3
MolecularFormula: C6H8O3
MolecularWeight: 128.1259
MdlNumber: MFCD27947705
Smiles: O=C1C=C(C(O1)(C)C)O
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
Xlogp3: 0.2
CatalogNumber:
AV18345
ChemicalName:
4-Hydroxy-5,5-dimethylfuran-2(5H)-one
CasNumber:
22621-30-3
MolecularFormula:
C6H8O3
MolecularWeight:
128.1259
MdlNumber:
MFCD27947705
Smiles:
O=C1C=C(C(O1)(C)C)O
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
Xlogp3:
0.2
CatalogNumber: AV18346
ChemicalName: (3-((1-(tert-butoxycarbonyl)piperidin-4-yl)carbamoyl)phenyl)boronic acid
CasNumber: 1704074-10-1
MolecularFormula: C17H25BN2O5
MolecularWeight: 348.2018
MdlNumber: MFCD28384301
Smiles: O=C(N1CCC(CC1)NC(=O)c1cccc(c1)B(O)O)OC(C)(C)C
Complexity: 472
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
Xlogp3: __
CatalogNumber:
AV18346
ChemicalName:
(3-((1-(tert-butoxycarbonyl)piperidin-4-yl)carbamoyl)phenyl)boronic acid
CasNumber:
1704074-10-1
MolecularFormula:
C17H25BN2O5
MolecularWeight:
348.2018
MdlNumber:
MFCD28384301
Smiles:
O=C(N1CCC(CC1)NC(=O)c1cccc(c1)B(O)O)OC(C)(C)C
Complexity:
472
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]c(=O)c2c([nH]1)c(Br)cs2
Complexity: 248
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]c(=O)c2c([nH]1)c(Br)cs2
Complexity:
248
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cn1)Oc1ccc(cc1Cl)N
Complexity: 227
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cn1)Oc1ccc(cc1Cl)N
Complexity:
227
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
2.7