AC42800
83249-10-9 | 3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC42800
ChemicalName
3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid
CasNumber
83249-10-9
MolecularFormula
C8H10O4
MolecularWeight
170.1626
MdlNumber
MFCD20638314
Smiles
COC(=O)C12CC(C1)(C2)C(=O)O
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.1
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CatalogNumber: AC42800
ChemicalName: 3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid
CasNumber: 83249-10-9
MolecularFormula: C8H10O4
MolecularWeight: 170.1626
MdlNumber: MFCD20638314
Smiles: COC(=O)C12CC(C1)(C2)C(=O)O
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AC42800
ChemicalName:
3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid
CasNumber:
83249-10-9
MolecularFormula:
C8H10O4
MolecularWeight:
170.1626
MdlNumber:
MFCD20638314
Smiles:
COC(=O)C12CC(C1)(C2)C(=O)O
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.1
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Smiles: CCCCCCCCP(=O)(c1ccccc1)CC(=O)N(CC(C)C)CC(C)C
Complexity: __
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Smiles:
CCCCCCCCP(=O)(c1ccccc1)CC(=O)N(CC(C)C)CC(C)C
Complexity:
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Smiles: BrCc1ccc(cc1CC(C(=O)OCC)(C(=O)OCC)NC(=O)C)[N+](=O)[O-]
Complexity: __
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Smiles:
BrCc1ccc(cc1CC(C(=O)OCC)(C(=O)OCC)NC(=O)C)[N+](=O)[O-]
Complexity:
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Smiles: BrCCCOc1ccc(cc1)Br
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Smiles:
BrCCCOc1ccc(cc1)Br
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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