AV18637
124524-76-1 | Ethyl 4-hydroxychroman-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18637
ChemicalName
Ethyl 4-hydroxychroman-2-carboxylate
CasNumber
124524-76-1
MolecularFormula
C12H14O4
MolecularWeight
222.2372
MdlNumber
MFCD30185145
Smiles
CCOC(=O)C1CC(O)c2c(O1)cccc2
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
1.5
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CatalogNumber: AV18637
ChemicalName: Ethyl 4-hydroxychroman-2-carboxylate
CasNumber: 124524-76-1
MolecularFormula: C12H14O4
MolecularWeight: 222.2372
MdlNumber: MFCD30185145
Smiles: CCOC(=O)C1CC(O)c2c(O1)cccc2
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.5
CatalogNumber:
AV18637
ChemicalName:
Ethyl 4-hydroxychroman-2-carboxylate
CasNumber:
124524-76-1
MolecularFormula:
C12H14O4
MolecularWeight:
222.2372
MdlNumber:
MFCD30185145
Smiles:
CCOC(=O)C1CC(O)c2c(O1)cccc2
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.5
CatalogNumber: AV18638
ChemicalName: 5,6-Dihydroxy-2-azabicyclo[2.2.1]heptan-3-one
CasNumber: 143396-01-4
MolecularFormula: C6H9NO3
MolecularWeight: 143.1406
MdlNumber: MFCD19217267
Smiles: O=C1NC2CC1C(C2O)O
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: __
UndefinedAtomStereocenterCount: 4
Xlogp3: -1.8
CatalogNumber:
AV18638
ChemicalName:
5,6-Dihydroxy-2-azabicyclo[2.2.1]heptan-3-one
CasNumber:
143396-01-4
MolecularFormula:
C6H9NO3
MolecularWeight:
143.1406
MdlNumber:
MFCD19217267
Smiles:
O=C1NC2CC1C(C2O)O
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
4
Xlogp3:
-1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O/N=C(/C(C)(C)C)\N
Complexity: 102
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O/N=C(/C(C)(C)C)\N
Complexity:
102
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc(c1)c1cnc(s1)Cl
Complexity: 181
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 4.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc(c1)c1cnc(s1)Cl
Complexity:
181
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.3