AD27893
214894-91-4 | Methyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD27893
ChemicalName
Methyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate
CasNumber
214894-91-4
MolecularFormula
C10H10O4
MolecularWeight
194.184
MdlNumber
MFCD01546256
Smiles
COC(=O)c1cccc2c1OCCO2
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AD27893
ChemicalName: Methyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate
CasNumber: 214894-91-4
MolecularFormula: C10H10O4
MolecularWeight: 194.184
MdlNumber: MFCD01546256
Smiles: COC(=O)c1cccc2c1OCCO2
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AD27893
ChemicalName:
Methyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate
CasNumber:
214894-91-4
MolecularFormula:
C10H10O4
MolecularWeight:
194.184
MdlNumber:
MFCD01546256
Smiles:
COC(=O)c1cccc2c1OCCO2
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AD27899
ChemicalName: 4,7-Dichloroquinazoline
CasNumber: 2148-57-4
MolecularFormula: C8H4Cl2N2
MolecularWeight: 199.03676
MdlNumber: MFCD00023911
Smiles: Clc1ccc2c(c1)ncnc2Cl
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
AD27899
ChemicalName:
4,7-Dichloroquinazoline
CasNumber:
2148-57-4
MolecularFormula:
C8H4Cl2N2
MolecularWeight:
199.03676
MdlNumber:
MFCD00023911
Smiles:
Clc1ccc2c(c1)ncnc2Cl
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@@H](C(=O)O)CCNC(=O)OC(C)(C)C)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@@H](C(=O)O)CCNC(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1CN([C@H](C1)C(=O)O)C(=O)OCC1c2ccccc2c2c1cccc2
Complexity: 530
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1CN([C@H](C1)C(=O)O)C(=O)OCC1c2ccccc2c2c1cccc2
Complexity:
530
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4