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7699-48-1 | 1H-Pyrrole-2-propanol
CAS No: 7699-48-1 Catalog No: AG005788 MDL No:
Product Description
Catalog Number:
AG005788
Chemical Name:
1H-Pyrrole-2-propanol
CAS Number:
7699-48-1
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
IUPAC Name:
3-(1H-pyrrol-2-yl)propan-1-ol
InChI:
InChI=1S/C7H11NO/c9-6-2-4-7-3-1-5-8-7/h1,3,5,8-9H,2,4,6H2
InChI Key:
QKMSCHYQWAVTRZ-UHFFFAOYSA-N
SMILES:
OCCCc1ccc[nH]1
Properties
Complexity:
75.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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