AB70598
6641-83-4 | 2-Methyl-4-oxopentanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB70598
ChemicalName
2-Methyl-4-oxopentanoic acid
CasNumber
6641-83-4
MolecularFormula
C6H10O3
MolecularWeight
130.1418
MdlNumber
MFCD00143584
Smiles
CC(=O)CC(C(=O)O)C
NscNumber
15757
Complexity
128
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
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CatalogNumber: AB70598
ChemicalName: 2-Methyl-4-oxopentanoic acid
CasNumber: 6641-83-4
MolecularFormula: C6H10O3
MolecularWeight: 130.1418
MdlNumber: MFCD00143584
Smiles: CC(=O)CC(C(=O)O)C
NscNumber: 15757
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AB70598
ChemicalName:
2-Methyl-4-oxopentanoic acid
CasNumber:
6641-83-4
MolecularFormula:
C6H10O3
MolecularWeight:
130.1418
MdlNumber:
MFCD00143584
Smiles:
CC(=O)CC(C(=O)O)C
NscNumber:
15757
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)C[C@@](C(=O)O)(N)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1)C[C@@](C(=O)O)(N)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(c2c1cccc2)N=Nc1ccccc1.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(c2c1cccc2)N=Nc1ccccc1.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: AB70601
ChemicalName: Alpha-phenylcinnamic acid
CasNumber: 91-48-5
MolecularFormula: C15H12O2
MolecularWeight: 224.2546
MdlNumber: MFCD00229049
Smiles: OC(=O)/C(=C/c1ccccc1)/c1ccccc1
NscNumber: __
Complexity: 281
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
CatalogNumber:
AB70601
ChemicalName:
Alpha-phenylcinnamic acid
CasNumber:
91-48-5
MolecularFormula:
C15H12O2
MolecularWeight:
224.2546
MdlNumber:
MFCD00229049
Smiles:
OC(=O)/C(=C/c1ccccc1)/c1ccccc1
NscNumber:
__
Complexity:
281
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__