AB45470
3710-42-7 | 7-Hydroxyheptanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB45470
ChemicalName
7-Hydroxyheptanoic acid
CasNumber
3710-42-7
MolecularFormula
C7H14O3
MolecularWeight
146.1843
MdlNumber
MFCD03095417
Smiles
OCCCCCCC(=O)O
Complexity
90.9
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
-0.5
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CatalogNumber: AB45470
ChemicalName: 7-Hydroxyheptanoic acid
CasNumber: 3710-42-7
MolecularFormula: C7H14O3
MolecularWeight: 146.1843
MdlNumber: MFCD03095417
Smiles: OCCCCCCC(=O)O
Complexity: 90.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: -0.5
CatalogNumber:
AB45470
ChemicalName:
7-Hydroxyheptanoic acid
CasNumber:
3710-42-7
MolecularFormula:
C7H14O3
MolecularWeight:
146.1843
MdlNumber:
MFCD03095417
Smiles:
OCCCCCCC(=O)O
Complexity:
90.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(c1)nccc2
Complexity: 133
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(c1)nccc2
Complexity:
133
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: AB45473
ChemicalName: 7-Methyl-1H-purine-2,6,8(3H,7H,9H)-trione
CasNumber: 612-37-3
MolecularFormula: C6H6N4O3
MolecularWeight: 182.1368
MdlNumber: MFCD00042772
Smiles: O=c1[nH]c2[nH]c(=O)n(c2c(=O)[nH]1)C
Complexity: 359
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: __
Xlogp3: -1.2
CatalogNumber:
AB45473
ChemicalName:
7-Methyl-1H-purine-2,6,8(3H,7H,9H)-trione
CasNumber:
612-37-3
MolecularFormula:
C6H6N4O3
MolecularWeight:
182.1368
MdlNumber:
MFCD00042772
Smiles:
O=c1[nH]c2[nH]c(=O)n(c2c(=O)[nH]1)C
Complexity:
359
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
__
Xlogp3:
-1.2
CatalogNumber: AB45474
ChemicalName: 7-Nitro-1-tetralone
CasNumber: 40353-34-2
MolecularFormula: C10H9NO3
MolecularWeight: 191.1834
MdlNumber: MFCD00019661
Smiles: O=C1CCCc2c1cc(cc2)[N+](=O)[O-]
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
AB45474
ChemicalName:
7-Nitro-1-tetralone
CasNumber:
40353-34-2
MolecularFormula:
C10H9NO3
MolecularWeight:
191.1834
MdlNumber:
MFCD00019661
Smiles:
O=C1CCCc2c1cc(cc2)[N+](=O)[O-]
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9