AA39371
13051-21-3 | 3-Methoxy-2,2-dimethyl-3-oxopropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA39371
ChemicalName
3-Methoxy-2,2-dimethyl-3-oxopropanoic acid
CasNumber
13051-21-3
MolecularFormula
C6H10O4
MolecularWeight
146.1412
MdlNumber
MFCD09833517
Smiles
COC(=O)C(C(=O)O)(C)C
Complexity
159
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.7
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CatalogNumber: AA39371
ChemicalName: 3-Methoxy-2,2-dimethyl-3-oxopropanoic acid
CasNumber: 13051-21-3
MolecularFormula: C6H10O4
MolecularWeight: 146.1412
MdlNumber: MFCD09833517
Smiles: COC(=O)C(C(=O)O)(C)C
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AA39371
ChemicalName:
3-Methoxy-2,2-dimethyl-3-oxopropanoic acid
CasNumber:
13051-21-3
MolecularFormula:
C6H10O4
MolecularWeight:
146.1412
MdlNumber:
MFCD09833517
Smiles:
COC(=O)C(C(=O)O)(C)C
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC=CCN1C(=O)OC(C)(C)C)OC(C)(C)C
Complexity: 366
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC=CCN1C(=O)OC(C)(C)C)OC(C)(C)C
Complexity:
366
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NN=C(C1C)c1ccc(cc1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NN=C(C1C)c1ccc(cc1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)C1=NNC(=O)C1(C)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)C1=NNC(=O)C1(C)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__