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82756-30-7 | Ethanone, 1-(3-hydroxy-1-propyl-1H-pyrrol-2-yl)-
CAS No: 82756-30-7 Catalog No: AG004UU2 MDL No:MFCD24706101
Product Description
Catalog Number:
AG004UU2
Chemical Name:
Ethanone, 1-(3-hydroxy-1-propyl-1H-pyrrol-2-yl)-
CAS Number:
82756-30-7
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD24706101
IUPAC Name:
1-(3-hydroxy-1-propylpyrrol-2-yl)ethanone
InChI:
InChI=1S/C9H13NO2/c1-3-5-10-6-4-8(12)9(10)7(2)11/h4,6,12H,3,5H2,1-2H3
InChI Key:
IASWNDJGHUYDGK-UHFFFAOYSA-N
SMILES:
CCCn1ccc(c1C(=O)C)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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