AB44093
3739-30-8 | 2-Hydroxy-2-methylbutyric acid
Manufacturer: A2B Chem
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CatalogNumber
AB44093
ChemicalName
2-Hydroxy-2-methylbutyric acid
CasNumber
3739-30-8
MolecularFormula
C5H10O3
MolecularWeight
118.1311
MdlNumber
MFCD00004476
Smiles
CC(C(=O)O)(CC)O
NscNumber
9458
Complexity
99.8
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.3
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CatalogNumber: AB44093
ChemicalName: 2-Hydroxy-2-methylbutyric acid
CasNumber: 3739-30-8
MolecularFormula: C5H10O3
MolecularWeight: 118.1311
MdlNumber: MFCD00004476
Smiles: CC(C(=O)O)(CC)O
NscNumber: 9458
Complexity: 99.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.3
CatalogNumber:
AB44093
ChemicalName:
2-Hydroxy-2-methylbutyric acid
CasNumber:
3739-30-8
MolecularFormula:
C5H10O3
MolecularWeight:
118.1311
MdlNumber:
MFCD00004476
Smiles:
CC(C(=O)O)(CC)O
NscNumber:
9458
Complexity:
99.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(O)(C)C)c1ccccc1
NscNumber: __
Complexity: 167
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(O)(C)C)c1ccccc1
NscNumber:
__
Complexity:
167
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.5
CatalogNumber: AB44095
ChemicalName: 2-Hydroxy-2-propyl-pentanoic acid
CasNumber: 3639-22-3
MolecularFormula: C8H16O3
MolecularWeight: 160.2108
MdlNumber: MFCD00068930
Smiles: CCCC(C(=O)O)(CCC)O
NscNumber: 229295
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 1.5
CatalogNumber:
AB44095
ChemicalName:
2-Hydroxy-2-propyl-pentanoic acid
CasNumber:
3639-22-3
MolecularFormula:
C8H16O3
MolecularWeight:
160.2108
MdlNumber:
MFCD00068930
Smiles:
CCCC(C(=O)O)(CCC)O
NscNumber:
229295
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.5
CatalogNumber: AB44096
ChemicalName: 2-Hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
CasNumber: 5596-17-8
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00180244
Smiles: ON1C(=O)C2C(C1=O)C1OC2C=C1
NscNumber: 245380
Complexity: 307
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: 4
Xlogp3: -1.3
CatalogNumber:
AB44096
ChemicalName:
2-Hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
CasNumber:
5596-17-8
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00180244
Smiles:
ON1C(=O)C2C(C1=O)C1OC2C=C1
NscNumber:
245380
Complexity:
307
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
4
Xlogp3:
-1.3