AB26369
24851-98-7 | Methyl dihydrojasmonate
Manufacturer: A2B Chem
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CatalogNumber
AB26369
ChemicalName
Methyl dihydrojasmonate
CasNumber
24851-98-7
MolecularFormula
C13H22O3
MolecularWeight
226.31198000000006
MdlNumber
MFCD00085362
Smiles
CCCCCC1C(CCC1=O)CC(=O)OC
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
7
UndefinedAtomStereocenterCount
2
Xlogp3
2.7
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CatalogNumber: AB26369
ChemicalName: Methyl dihydrojasmonate
CasNumber: 24851-98-7
MolecularFormula: C13H22O3
MolecularWeight: 226.31198000000006
MdlNumber: MFCD00085362
Smiles: CCCCCC1C(CCC1=O)CC(=O)OC
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.7
CatalogNumber:
AB26369
ChemicalName:
Methyl dihydrojasmonate
CasNumber:
24851-98-7
MolecularFormula:
C13H22O3
MolecularWeight:
226.31198000000006
MdlNumber:
MFCD00085362
Smiles:
CCCCCC1C(CCC1=O)CC(=O)OC
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.7
CatalogNumber: AB26370
ChemicalName: 2-Methyl-1,3-benzothiazole-5-carboxylic acid
CasNumber: 24851-69-2
MolecularFormula: C9H7NO2S
MolecularWeight: 193.2224
MdlNumber: MFCD00498510
Smiles: Cc1sc2c(n1)cc(cc2)C(=O)O
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.3
CatalogNumber:
AB26370
ChemicalName:
2-Methyl-1,3-benzothiazole-5-carboxylic acid
CasNumber:
24851-69-2
MolecularFormula:
C9H7NO2S
MolecularWeight:
193.2224
MdlNumber:
MFCD00498510
Smiles:
Cc1sc2c(n1)cc(cc2)C(=O)O
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCOc1ccc2c(c1)c(=O)cc(n2CC)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCOc1ccc2c(c1)c(=O)cc(n2CC)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCc1ccc(c(c1)C(=O)CCC(=O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCc1ccc(c(c1)C(=O)CCC(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__