AA89278
16695-14-0 | Monomethyl malonate
Manufacturer: A2B Chem
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CatalogNumber
AA89278
ChemicalName
Monomethyl malonate
CasNumber
16695-14-0
MolecularFormula
C4H6O4
MolecularWeight
118.088
MdlNumber
MFCD00667796
Smiles
COC(=O)CC(=O)O
Complexity
107
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.4
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CatalogNumber: AA89278
ChemicalName: Monomethyl malonate
CasNumber: 16695-14-0
MolecularFormula: C4H6O4
MolecularWeight: 118.088
MdlNumber: MFCD00667796
Smiles: COC(=O)CC(=O)O
Complexity: 107
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.4
CatalogNumber:
AA89278
ChemicalName:
Monomethyl malonate
CasNumber:
16695-14-0
MolecularFormula:
C4H6O4
MolecularWeight:
118.088
MdlNumber:
MFCD00667796
Smiles:
COC(=O)CC(=O)O
Complexity:
107
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1oc(c(c1)S(=O)(=O)Cl)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1oc(c(c1)S(=O)(=O)Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)Oc1c(N)onc1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)Oc1c(N)onc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA89281
ChemicalName: 5-Amino-4-chloro-3-methylisoxazole
CasNumber: 166964-09-6
MolecularFormula: C4H5ClN2O
MolecularWeight: 132.5483
MdlNumber: MFCD08443950
Smiles: Cc1noc(c1Cl)N
Complexity: 90.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
AA89281
ChemicalName:
5-Amino-4-chloro-3-methylisoxazole
CasNumber:
166964-09-6
MolecularFormula:
C4H5ClN2O
MolecularWeight:
132.5483
MdlNumber:
MFCD08443950
Smiles:
Cc1noc(c1Cl)N
Complexity:
90.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1