AI60010
894789-82-3 | tert-Butyl 2-(tetrahydro-4h-pyran-4-ylidene)acetate
Manufacturer: A2B Chem
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CatalogNumber
AI60010
ChemicalName
tert-Butyl 2-(tetrahydro-4h-pyran-4-ylidene)acetate
CasNumber
894789-82-3
MolecularFormula
C11H18O3
MolecularWeight
198.2588
MdlNumber
MFCD22415212
Smiles
O=C(C=C1CCOCC1)OC(C)(C)C
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AI60010
ChemicalName: tert-Butyl 2-(tetrahydro-4h-pyran-4-ylidene)acetate
CasNumber: 894789-82-3
MolecularFormula: C11H18O3
MolecularWeight: 198.2588
MdlNumber: MFCD22415212
Smiles: O=C(C=C1CCOCC1)OC(C)(C)C
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AI60010
ChemicalName:
tert-Butyl 2-(tetrahydro-4h-pyran-4-ylidene)acetate
CasNumber:
894789-82-3
MolecularFormula:
C11H18O3
MolecularWeight:
198.2588
MdlNumber:
MFCD22415212
Smiles:
O=C(C=C1CCOCC1)OC(C)(C)C
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc2c(c1)c(N)c(o2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc2c(c1)c(N)c(o2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI60012
ChemicalName: 5-Chloropyrimidine-2-carboxylic acid methyl ester
CasNumber: 894797-00-3
MolecularFormula: C6H5ClN2O2
MolecularWeight: 172.5691
MdlNumber: MFCD16611603
Smiles: COC(=O)c1ncc(cn1)Cl
Complexity: 146
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AI60012
ChemicalName:
5-Chloropyrimidine-2-carboxylic acid methyl ester
CasNumber:
894797-00-3
MolecularFormula:
C6H5ClN2O2
MolecularWeight:
172.5691
MdlNumber:
MFCD16611603
Smiles:
COC(=O)c1ncc(cn1)Cl
Complexity:
146
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1=C(SC(=N1)NC(=O)OC2=CC=CC=C2)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=C(SC(=N1)NC(=O)OC2=CC=CC=C2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__