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89261-17-6 | 2-Pyrrolidineacetic acid, 1-(3,5-dimethoxyphenyl)-
CAS No: 89261-17-6 Catalog No: AG0042I8 MDL No:
Product Description
Catalog Number:
AG0042I8
Chemical Name:
2-Pyrrolidineacetic acid, 1-(3,5-dimethoxyphenyl)-
CAS Number:
89261-17-6
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
IUPAC Name:
2-[1-(3,5-dimethoxyphenyl)pyrrolidin-2-yl]acetic acid
InChI:
InChI=1S/C14H19NO4/c1-18-12-6-11(7-13(9-12)19-2)15-5-3-4-10(15)8-14(16)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,17)
InChI Key:
ASNINPVTGMOGHV-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)N1CCCC1CC(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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