AF30685
20185-55-1 | Methyl 4-isopropylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AF30685
ChemicalName
Methyl 4-isopropylbenzoate
CasNumber
20185-55-1
MolecularFormula
C11H14O2
MolecularWeight
178.22766
MdlNumber
MFCD06203666
Smiles
COC(=O)c1ccc(cc1)C(C)C
NscNumber
20013
Complexity
167
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
3.5
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CatalogNumber: AF30685
ChemicalName: Methyl 4-isopropylbenzoate
CasNumber: 20185-55-1
MolecularFormula: C11H14O2
MolecularWeight: 178.22766
MdlNumber: MFCD06203666
Smiles: COC(=O)c1ccc(cc1)C(C)C
NscNumber: 20013
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AF30685
ChemicalName:
Methyl 4-isopropylbenzoate
CasNumber:
20185-55-1
MolecularFormula:
C11H14O2
MolecularWeight:
178.22766
MdlNumber:
MFCD06203666
Smiles:
COC(=O)c1ccc(cc1)C(C)C
NscNumber:
20013
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: AF30686
ChemicalName: Ethyl 5-amino-1-phenethylpyrazole-4-carboxylate
CasNumber: 252903-25-6
MolecularFormula: C14H17N3O2
MolecularWeight: 259.3037
MdlNumber: MFCD06795934
Smiles: CCOC(=O)c1cnn(c1N)CCc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AF30686
ChemicalName:
Ethyl 5-amino-1-phenethylpyrazole-4-carboxylate
CasNumber:
252903-25-6
MolecularFormula:
C14H17N3O2
MolecularWeight:
259.3037
MdlNumber:
MFCD06795934
Smiles:
CCOC(=O)c1cnn(c1N)CCc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCC1=CC=CC=C1NC2=CC=CC=C2CCCCCCCC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCC1=CC=CC=C1NC2=CC=CC=C2CCCCCCCC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CC[C@H]1C[C@@H](C)[C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)O)O)OC)OC(=O)CC)C)OC1CC[C@@H]([C@H](O1)C)N(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CC[C@H]1C[C@@H](C)[C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)O)O)OC)OC(=O)CC)C)OC1CC[C@@H]([C@H](O1)C)N(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__