AD54616
27151-65-1 | Monomethyl 3-methylglutarate
Manufacturer: A2B Chem
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CatalogNumber
AD54616
ChemicalName
Monomethyl 3-methylglutarate
CasNumber
27151-65-1
MolecularFormula
C7H12O4
MolecularWeight
160.1678
MdlNumber
MFCD01631203
Smiles
CC(CC(=O)O)CC(=O)OC
NscNumber
249823
Complexity
153
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
0.8
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CatalogNumber: AD54616
ChemicalName: Monomethyl 3-methylglutarate
CasNumber: 27151-65-1
MolecularFormula: C7H12O4
MolecularWeight: 160.1678
MdlNumber: MFCD01631203
Smiles: CC(CC(=O)O)CC(=O)OC
NscNumber: 249823
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.8
CatalogNumber:
AD54616
ChemicalName:
Monomethyl 3-methylglutarate
CasNumber:
27151-65-1
MolecularFormula:
C7H12O4
MolecularWeight:
160.1678
MdlNumber:
MFCD01631203
Smiles:
CC(CC(=O)O)CC(=O)OC
NscNumber:
249823
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.8
CatalogNumber: AD54618
ChemicalName: 1H-Pyrazolo[4,3-c]pyridine
CasNumber: 271-50-1
MolecularFormula: C6H5N3
MolecularWeight: 119.124
MdlNumber: MFCD13175200
Smiles: c1ncc2c(c1)n[nH]c2
NscNumber: __
Complexity: 105
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.5
CatalogNumber:
AD54618
ChemicalName:
1H-Pyrazolo[4,3-c]pyridine
CasNumber:
271-50-1
MolecularFormula:
C6H5N3
MolecularWeight:
119.124
MdlNumber:
MFCD13175200
Smiles:
c1ncc2c(c1)n[nH]c2
NscNumber:
__
Complexity:
105
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)C(=C(C(=O)OC)C#N)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)C(=C(C(=O)OC)C#N)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cl[Cl]([Si](c1ccccc1)(Cl)Cl)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cl[Cl]([Si](c1ccccc1)(Cl)Cl)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__