AI51973
5343-92-0 | 1,2-Pentanediol
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AI51973
ChemicalName
1,2-Pentanediol
CasNumber
5343-92-0
MolecularFormula
C5H12O2
MolecularWeight
104.1476
MdlNumber
MFCD00010736
Smiles
CCCC(CO)O
NscNumber
513
Complexity
37.1
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.2
Compare Similar Items
Show Difference
CatalogNumber: AI51973
ChemicalName: 1,2-Pentanediol
CasNumber: 5343-92-0
MolecularFormula: C5H12O2
MolecularWeight: 104.1476
MdlNumber: MFCD00010736
Smiles: CCCC(CO)O
NscNumber: 513
Complexity: 37.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.2
CatalogNumber:
AI51973
ChemicalName:
1,2-Pentanediol
CasNumber:
5343-92-0
MolecularFormula:
C5H12O2
MolecularWeight:
104.1476
MdlNumber:
MFCD00010736
Smiles:
CCCC(CO)O
NscNumber:
513
Complexity:
37.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@H](CC(C)C)N
NscNumber: __
Complexity: 54.5
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H](CC(C)C)N
NscNumber:
__
Complexity:
54.5
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1Cl)N
NscNumber: __
Complexity: 110
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1Cl)N
NscNumber:
__
Complexity:
110
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(c1)Br)C(=O)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c(c1)Br)C(=O)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__