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137025-05-9 | 1H-Pyrrole-1-hexanoic acid
CAS No: 137025-05-9 Catalog No: AG0012Q6 MDL No:
Product Description
Catalog Number:
AG0012Q6
Chemical Name:
1H-Pyrrole-1-hexanoic acid
CAS Number:
137025-05-9
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
6-pyrrol-1-ylhexanoic acid
InChI:
InChI=1S/C10H15NO2/c12-10(13)6-2-1-3-7-11-8-4-5-9-11/h4-5,8-9H,1-3,6-7H2,(H,12,13)
InChI Key:
UQMFXYIEZCNINN-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCn1cccc1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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