AI52957
57897-77-5 | 2-(methoxycarbonyl)benzenesulfonic acid
Manufacturer: A2B Chem
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CatalogNumber
AI52957
ChemicalName
2-(methoxycarbonyl)benzenesulfonic acid
CasNumber
57897-77-5
MolecularFormula
C8H8O5S
MolecularWeight
216.2111
MdlNumber
MFCD27578460
Smiles
COC(=O)c1ccccc1S(=O)(=O)O
Complexity
302
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AI52957
ChemicalName: 2-(methoxycarbonyl)benzenesulfonic acid
CasNumber: 57897-77-5
MolecularFormula: C8H8O5S
MolecularWeight: 216.2111
MdlNumber: MFCD27578460
Smiles: COC(=O)c1ccccc1S(=O)(=O)O
Complexity: 302
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AI52957
ChemicalName:
2-(methoxycarbonyl)benzenesulfonic acid
CasNumber:
57897-77-5
MolecularFormula:
C8H8O5S
MolecularWeight:
216.2111
MdlNumber:
MFCD27578460
Smiles:
COC(=O)c1ccccc1S(=O)(=O)O
Complexity:
302
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(C1=CC=C(C=C1)Cl)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(C1=CC=C(C=C1)Cl)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)/C=C(/N[C@H](c1ccc(cc1)O)C(=O)[O-])C.[K+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)/C=C(/N[C@H](c1ccc(cc1)O)C(=O)[O-])C.[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)C[C@@H](C(=O)O)N.O
Complexity: 134
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)C[C@@H](C(=O)O)N.O
Complexity:
134
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__