Home Other Building Blocks 3-(1H-pyrrol-1-yl)propane-1,2-diol

3-(1H-pyrrol-1-yl)propane-1,2-diol

CAS No.:
96625-77-3
Catalog Number:
AG01C5A2
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
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Product Description
Catalog Number:
AG01C5A2
Chemical Name:
3-(1H-pyrrol-1-yl)propane-1,2-diol
CAS Number:
96625-77-3
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD12924135
IUPAC Name:
3-pyrrol-1-ylpropane-1,2-diol
InChI:
InChI=1S/C7H11NO2/c9-6-7(10)5-8-3-1-2-4-8/h1-4,7,9-10H,5-6H2
InChI Key:
RXSXTPJJAPLCJG-UHFFFAOYSA-N
SMILES:
OCC(Cn1cccc1)O
Properties
Complexity:
91.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties