AB48245
7424-91-1 | Methyl 3,3-dimethoxypropionate
Manufacturer: A2B Chem
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CatalogNumber
AB48245
ChemicalName
Methyl 3,3-dimethoxypropionate
CasNumber
7424-91-1
MolecularFormula
C6H12O4
MolecularWeight
148.1571
MdlNumber
MFCD00010650
Smiles
COC(=O)CC(OC)OC
NscNumber
92715
Complexity
97.9
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
-0.1
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CatalogNumber: AB48245
ChemicalName: Methyl 3,3-dimethoxypropionate
CasNumber: 7424-91-1
MolecularFormula: C6H12O4
MolecularWeight: 148.1571
MdlNumber: MFCD00010650
Smiles: COC(=O)CC(OC)OC
NscNumber: 92715
Complexity: 97.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: -0.1
CatalogNumber:
AB48245
ChemicalName:
Methyl 3,3-dimethoxypropionate
CasNumber:
7424-91-1
MolecularFormula:
C6H12O4
MolecularWeight:
148.1571
MdlNumber:
MFCD00010650
Smiles:
COC(=O)CC(OC)OC
NscNumber:
92715
Complexity:
97.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCn1c(COCC)nc2c1c1ccccc1nc2N
NscNumber: __
Complexity: 355
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCn1c(COCC)nc2c1c1ccccc1nc2N
NscNumber:
__
Complexity:
355
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8
CatalogNumber: AB48247
ChemicalName: 5-Chloro-2-methylpyridine
CasNumber: 72093-07-3
MolecularFormula: C6H6ClN
MolecularWeight: 127.5715
MdlNumber: MFCD04114188
Smiles: Cc1ccc(cn1)Cl
NscNumber: __
Complexity: 74.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
AB48247
ChemicalName:
5-Chloro-2-methylpyridine
CasNumber:
72093-07-3
MolecularFormula:
C6H6ClN
MolecularWeight:
127.5715
MdlNumber:
MFCD04114188
Smiles:
Cc1ccc(cn1)Cl
NscNumber:
__
Complexity:
74.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O
NscNumber: __
Complexity: 508
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O
NscNumber:
__
Complexity:
508
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2