AB17740
20733-94-2 | Methyl sinapate
Manufacturer: A2B Chem
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CatalogNumber
AB17740
ChemicalName
Methyl sinapate
CasNumber
20733-94-2
MolecularFormula
C12H14O5
MolecularWeight
238.2366
MdlNumber
MFCD00210467
Smiles
COC(=O)C=Cc1cc(OC)c(c(c1)OC)O
Complexity
262
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.8
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CatalogNumber: AB17740
ChemicalName: Methyl sinapate
CasNumber: 20733-94-2
MolecularFormula: C12H14O5
MolecularWeight: 238.2366
MdlNumber: MFCD00210467
Smiles: COC(=O)C=Cc1cc(OC)c(c(c1)OC)O
Complexity: 262
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.8
CatalogNumber:
AB17740
ChemicalName:
Methyl sinapate
CasNumber:
20733-94-2
MolecularFormula:
C12H14O5
MolecularWeight:
238.2366
MdlNumber:
MFCD00210467
Smiles:
COC(=O)C=Cc1cc(OC)c(c(c1)OC)O
Complexity:
262
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.8
CatalogNumber: AB17742
ChemicalName: 4-Methoxypyridazine
CasNumber: 20733-11-3
MolecularFormula: C5H6N2O
MolecularWeight: 110.1139
MdlNumber: MFCD08236840
Smiles: COc1ccnnc1
Complexity: 67.4
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: -0.3
CatalogNumber:
AB17742
ChemicalName:
4-Methoxypyridazine
CasNumber:
20733-11-3
MolecularFormula:
C5H6N2O
MolecularWeight:
110.1139
MdlNumber:
MFCD08236840
Smiles:
COc1ccnnc1
Complexity:
67.4
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](c1ccnc2c1cc(OC)cc2)O.Br.O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](c1ccnc2c1cc(OC)cc2)O.Br.O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C[C@@H](C(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c1ccccc1)C.O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C[C@@H](C(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c1ccccc1)C.O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__