AB75515
805250-17-3 | Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AB75515
ChemicalName
Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
CasNumber
805250-17-3
MolecularFormula
C11H12O4
MolecularWeight
208.2106
MdlNumber
MFCD19703879
Smiles
COC(=O)CC1COc2c1ccc(c2)O
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AB75515
ChemicalName: Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
CasNumber: 805250-17-3
MolecularFormula: C11H12O4
MolecularWeight: 208.2106
MdlNumber: MFCD19703879
Smiles: COC(=O)CC1COc2c1ccc(c2)O
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AB75515
ChemicalName:
Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
CasNumber:
805250-17-3
MolecularFormula:
C11H12O4
MolecularWeight:
208.2106
MdlNumber:
MFCD19703879
Smiles:
COC(=O)CC1COc2c1ccc(c2)O
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(Br)ccc1CN
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(Br)ccc1CN
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB75517
ChemicalName: Methyl 2-(Boc-amino)isonicotinate
CasNumber: 639091-75-1
MolecularFormula: C12H16N2O4
MolecularWeight: 252.2664
MdlNumber: MFCD11504796
Smiles: COC(=O)c1ccnc(c1)NC(=O)OC(C)(C)C
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 1.5
CatalogNumber:
AB75517
ChemicalName:
Methyl 2-(Boc-amino)isonicotinate
CasNumber:
639091-75-1
MolecularFormula:
C12H16N2O4
MolecularWeight:
252.2664
MdlNumber:
MFCD11504796
Smiles:
COC(=O)c1ccnc(c1)NC(=O)OC(C)(C)C
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(=C1CCSCC1)NC(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(=C1CCSCC1)NC(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__