AI51840
52787-19-6 | 2-[3-(Methoxycarbonyl)phenyl]acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI51840
ChemicalName
2-[3-(Methoxycarbonyl)phenyl]acetic acid
CasNumber
52787-19-6
MolecularFormula
C10H10O4
MolecularWeight
194.184
MdlNumber
MFCD18459189
Smiles
COC(=O)c1cccc(c1)CC(=O)O
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.5
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CatalogNumber: AI51840
ChemicalName: 2-[3-(Methoxycarbonyl)phenyl]acetic acid
CasNumber: 52787-19-6
MolecularFormula: C10H10O4
MolecularWeight: 194.184
MdlNumber: MFCD18459189
Smiles: COC(=O)c1cccc(c1)CC(=O)O
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AI51840
ChemicalName:
2-[3-(Methoxycarbonyl)phenyl]acetic acid
CasNumber:
52787-19-6
MolecularFormula:
C10H10O4
MolecularWeight:
194.184
MdlNumber:
MFCD18459189
Smiles:
COC(=O)c1cccc(c1)CC(=O)O
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](Cc1ccc(c(c1)Cl)Cl)N
Complexity: 213
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](Cc1ccc(c(c1)Cl)Cl)N
Complexity:
213
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.8
CatalogNumber: AI51842
ChemicalName: Beta-maltose
CasNumber: 528-50-7
MolecularFormula: C12H22O11
MolecularWeight: 342.2965
MdlNumber: MFCD00065388
Smiles: OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O
Complexity: 382
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 8
RotatableBondCount: 4
Xlogp3: -4.7
CatalogNumber:
AI51842
ChemicalName:
Beta-maltose
CasNumber:
528-50-7
MolecularFormula:
C12H22O11
MolecularWeight:
342.2965
MdlNumber:
MFCD00065388
Smiles:
OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O
Complexity:
382
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
8
RotatableBondCount:
4
Xlogp3:
-4.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)COc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)COc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__