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145511-35-9 | 1H-Pyrrole-1-pentanoic acid
CAS No: 145511-35-9 Catalog No: AG001D4X MDL No:
Product Description
Catalog Number:
AG001D4X
Chemical Name:
1H-Pyrrole-1-pentanoic acid
CAS Number:
145511-35-9
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
5-pyrrol-1-ylpentanoic acid
InChI:
InChI=1S/C9H13NO2/c11-9(12)5-1-2-6-10-7-3-4-8-10/h3-4,7-8H,1-2,5-6H2,(H,11,12)
InChI Key:
AVEVRCSCWPFBMP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCn1cccc1
Properties
Complexity:
142
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:
5
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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