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150057-97-9 | Benzoic acid, 4-(1-pyrrolidinylcarbonyl)-
CAS No: 150057-97-9 Catalog No: AG001MAN MDL No:
Product Description
Catalog Number:
AG001MAN
Chemical Name:
Benzoic acid, 4-(1-pyrrolidinylcarbonyl)-
CAS Number:
150057-97-9
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
4-(pyrrolidine-1-carbonyl)benzoic acid
InChI:
InChI=1S/C12H13NO3/c14-11(13-7-1-2-8-13)9-3-5-10(6-4-9)12(15)16/h3-6H,1-2,7-8H2,(H,15,16)
InChI Key:
RHWLIPUKNHPPJJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)O)N1CCCC1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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