AA56587
138-22-7 | Butyl lactate
Manufacturer: A2B Chem
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CatalogNumber
AA56587
ChemicalName
Butyl lactate
CasNumber
138-22-7
MolecularFormula
C7H14O3
MolecularWeight
146.1843
MdlNumber
MFCD00004519
Smiles
CCCCOC(=O)C(O)C
NscNumber
6533
Complexity
101
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.1
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CatalogNumber: AA56587
ChemicalName: Butyl lactate
CasNumber: 138-22-7
MolecularFormula: C7H14O3
MolecularWeight: 146.1843
MdlNumber: MFCD00004519
Smiles: CCCCOC(=O)C(O)C
NscNumber: 6533
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AA56587
ChemicalName:
Butyl lactate
CasNumber:
138-22-7
MolecularFormula:
C7H14O3
MolecularWeight:
146.1843
MdlNumber:
MFCD00004519
Smiles:
CCCCOC(=O)C(O)C
NscNumber:
6533
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
CatalogNumber: AA56588
ChemicalName: (4-Bromo-3-methylisoxazol-5-yl)methyl acetate
CasNumber: 1380089-33-7
MolecularFormula: C7H8BrNO3
MolecularWeight: 234.0473
MdlNumber: MFCD24387374
Smiles: CC(=O)OCc1onc(c1Br)C
NscNumber: __
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
AA56588
ChemicalName:
(4-Bromo-3-methylisoxazol-5-yl)methyl acetate
CasNumber:
1380089-33-7
MolecularFormula:
C7H8BrNO3
MolecularWeight:
234.0473
MdlNumber:
MFCD24387374
Smiles:
CC(=O)OCc1onc(c1Br)C
NscNumber:
__
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.2
CatalogNumber: AA56589
ChemicalName: Cpi-0610
CasNumber: 1380087-89-7
MolecularFormula: C20H16ClN3O2
MolecularWeight: 365.8129
MdlNumber: MFCD28144505
Smiles: NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2
NscNumber: __
Complexity: 561
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 3
CatalogNumber:
AA56589
ChemicalName:
Cpi-0610
CasNumber:
1380087-89-7
MolecularFormula:
C20H16ClN3O2
MolecularWeight:
365.8129
MdlNumber:
MFCD28144505
Smiles:
NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2
NscNumber:
__
Complexity:
561
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Oc1ccc(cc1)[N+](=O)[O-])OC[C@@H]1[C@@H]2[C@H]1CCC#CCC2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Oc1ccc(cc1)[N+](=O)[O-])OC[C@@H]1[C@@H]2[C@H]1CCC#CCC2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__