AB43537
78-26-2 | 2-Methyl-2-propyl-1,3-propanediol
Manufacturer: A2B Chem
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CatalogNumber
AB43537
ChemicalName
2-Methyl-2-propyl-1,3-propanediol
CasNumber
78-26-2
MolecularFormula
C7H16O2
MolecularWeight
132.2007
MdlNumber
MFCD00004696
Smiles
CCCC(CO)(CO)C
NscNumber
26233
Complexity
67.3
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
0.9
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CatalogNumber: AB43537
ChemicalName: 2-Methyl-2-propyl-1,3-propanediol
CasNumber: 78-26-2
MolecularFormula: C7H16O2
MolecularWeight: 132.2007
MdlNumber: MFCD00004696
Smiles: CCCC(CO)(CO)C
NscNumber: 26233
Complexity: 67.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AB43537
ChemicalName:
2-Methyl-2-propyl-1,3-propanediol
CasNumber:
78-26-2
MolecularFormula:
C7H16O2
MolecularWeight:
132.2007
MdlNumber:
MFCD00004696
Smiles:
CCCC(CO)(CO)C
NscNumber:
26233
Complexity:
67.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(C(=O)O)(CO)C
NscNumber: __
Complexity: 106
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(C(=O)O)(CO)C
NscNumber:
__
Complexity:
106
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCc1cc(ccc1O)c1ccc(c(c1)CC=C)O
NscNumber: __
Complexity: 293
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCc1cc(ccc1O)c1ccc(c(c1)CC=C)O
NscNumber:
__
Complexity:
293
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2-c3c(C4(c2c1)c1ccccc1-c1c4cc(Br)cc1)cccc3
NscNumber: __
Complexity: 523
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 7.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2-c3c(C4(c2c1)c1ccccc1-c1c4cc(Br)cc1)cccc3
NscNumber:
__
Complexity:
523
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
7.8