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750542-10-0 | 1H-Pyrrole-2-carboxylicacid, 4-amino-1-propyl-
CAS No: 750542-10-0 Catalog No: AG0057AO MDL No:MFCD14622357
Product Description
Catalog Number:
AG0057AO
Chemical Name:
1H-Pyrrole-2-carboxylicacid, 4-amino-1-propyl-
CAS Number:
750542-10-0
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD14622357
IUPAC Name:
4-amino-1-propylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C8H12N2O2/c1-2-3-10-5-6(9)4-7(10)8(11)12/h4-5H,2-3,9H2,1H3,(H,11,12)
InChI Key:
JQVBCTWBAZHWQK-UHFFFAOYSA-N
SMILES:
CCCn1cc(cc1C(=O)O)N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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