AB79271
530-57-4 | Syringic acid
Manufacturer: A2B Chem
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CatalogNumber
AB79271
ChemicalName
Syringic acid
CasNumber
530-57-4
MolecularFormula
C9H10O5
MolecularWeight
198.1727
MdlNumber
MFCD00002552
Smiles
COc1cc(cc(c1O)OC)C(=O)O
NscNumber
2129
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1
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CatalogNumber: AB79271
ChemicalName: Syringic acid
CasNumber: 530-57-4
MolecularFormula: C9H10O5
MolecularWeight: 198.1727
MdlNumber: MFCD00002552
Smiles: COc1cc(cc(c1O)OC)C(=O)O
NscNumber: 2129
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AB79271
ChemicalName:
Syringic acid
CasNumber:
530-57-4
MolecularFormula:
C9H10O5
MolecularWeight:
198.1727
MdlNumber:
MFCD00002552
Smiles:
COc1cc(cc(c1O)OC)C(=O)O
NscNumber:
2129
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC(=C/C(=C/c1ccc(cc1)C(C)(C)C)/C)C#N
NscNumber: __
Complexity: 444
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC(=C/C(=C/c1ccc(cc1)C(C)(C)C)/C)C#N
NscNumber:
__
Complexity:
444
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC.CC.CC.CC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC.CC.CC.CC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [Ta]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[Ta]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__