AB51377
118-34-3 | Syringin
Manufacturer: A2B Chem
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CatalogNumber
AB51377
ChemicalName
Syringin
CasNumber
118-34-3
MolecularFormula
C17H24O9
MolecularWeight
372.3671
MdlNumber
MFCD00016778
Smiles
OC/C=C/c1cc(OC)c(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Complexity
432
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
DefinedBondStereocenterCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
5
RotatableBondCount
7
Xlogp3
-1.3
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CatalogNumber: AB51377
ChemicalName: Syringin
CasNumber: 118-34-3
MolecularFormula: C17H24O9
MolecularWeight: 372.3671
MdlNumber: MFCD00016778
Smiles: OC/C=C/c1cc(OC)c(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Complexity: 432
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
DefinedBondStereocenterCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 5
RotatableBondCount: 7
Xlogp3: -1.3
CatalogNumber:
AB51377
ChemicalName:
Syringin
CasNumber:
118-34-3
MolecularFormula:
C17H24O9
MolecularWeight:
372.3671
MdlNumber:
MFCD00016778
Smiles:
OC/C=C/c1cc(OC)c(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Complexity:
432
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
DefinedBondStereocenterCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
5
RotatableBondCount:
7
Xlogp3:
-1.3
CatalogNumber: AB51378
ChemicalName: 6-Ethynyl-4,4-dimethylthiochroman
CasNumber: 118292-06-1
MolecularFormula: C13H14S
MolecularWeight: 202.3153
MdlNumber: MFCD00902029
Smiles: C#Cc1ccc2c(c1)C(C)(C)CCS2
Complexity: 258
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.9
CatalogNumber:
AB51378
ChemicalName:
6-Ethynyl-4,4-dimethylthiochroman
CasNumber:
118292-06-1
MolecularFormula:
C13H14S
MolecularWeight:
202.3153
MdlNumber:
MFCD00902029
Smiles:
C#Cc1ccc2c(c1)C(C)(C)CCS2
Complexity:
258
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H](NC(=O)OC(C)(C)C)C#C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H](NC(=O)OC(C)(C)C)C#C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB51381
ChemicalName: 4-Chloro-3-cyanobenzoic acid
CasNumber: 117738-76-8
MolecularFormula: C8H4ClNO2
MolecularWeight: 181.5759
MdlNumber: MFCD09999808
Smiles: N#Cc1cc(ccc1Cl)C(=O)O
Complexity: 233
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AB51381
ChemicalName:
4-Chloro-3-cyanobenzoic acid
CasNumber:
117738-76-8
MolecularFormula:
C8H4ClNO2
MolecularWeight:
181.5759
MdlNumber:
MFCD09999808
Smiles:
N#Cc1cc(ccc1Cl)C(=O)O
Complexity:
233
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6