AG17319
53623-42-0 | Mono-(1s)-(+)-menthyl phthalate
Manufacturer: A2B Chem
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CatalogNumber
AG17319
ChemicalName
Mono-(1s)-(+)-menthyl phthalate
CasNumber
53623-42-0
MolecularFormula
C18H24O4
MolecularWeight
304.3808
MdlNumber
MFCD00045486
Smiles
C[C@H]1CC[C@@H]([C@H](C1)OC(=O)c1ccccc1C(=O)O)C(C)C
Complexity
404
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
4.8
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CatalogNumber: AG17319
ChemicalName: Mono-(1s)-(+)-menthyl phthalate
CasNumber: 53623-42-0
MolecularFormula: C18H24O4
MolecularWeight: 304.3808
MdlNumber: MFCD00045486
Smiles: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)c1ccccc1C(=O)O)C(C)C
Complexity: 404
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 4.8
CatalogNumber:
AG17319
ChemicalName:
Mono-(1s)-(+)-menthyl phthalate
CasNumber:
53623-42-0
MolecularFormula:
C18H24O4
MolecularWeight:
304.3808
MdlNumber:
MFCD00045486
Smiles:
C[C@H]1CC[C@@H]([C@H](C1)OC(=O)c1ccccc1C(=O)O)C(C)C
Complexity:
404
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
4.8
CatalogNumber: AG17320
ChemicalName: 5-(Aminomethyl)-2,3-dihydrobenzo[b]furan
CasNumber: 55745-74-9
MolecularFormula: C9H11NO
MolecularWeight: 149.1897
MdlNumber: MFCD00728869
Smiles: NCc1ccc2c(c1)CCO2
Complexity: 138
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AG17320
ChemicalName:
5-(Aminomethyl)-2,3-dihydrobenzo[b]furan
CasNumber:
55745-74-9
MolecularFormula:
C9H11NO
MolecularWeight:
149.1897
MdlNumber:
MFCD00728869
Smiles:
NCc1ccc2c(c1)CCO2
Complexity:
138
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cn(c2c1cccc2)S(=O)(=O)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cn(c2c1cccc2)S(=O)(=O)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG17322
ChemicalName: 5-Bromo-2-isopropoxybenzonitrile
CasNumber: 515832-52-7
MolecularFormula: C10H10BrNO
MolecularWeight: 240.0965
MdlNumber: MFCD02257441
Smiles: N#Cc1cc(Br)ccc1OC(C)C
Complexity: 208
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AG17322
ChemicalName:
5-Bromo-2-isopropoxybenzonitrile
CasNumber:
515832-52-7
MolecularFormula:
C10H10BrNO
MolecularWeight:
240.0965
MdlNumber:
MFCD02257441
Smiles:
N#Cc1cc(Br)ccc1OC(C)C
Complexity:
208
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.1