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859181-99-0 | 1-[(4-METHOXYPHENYL)AMINO]CYCLOPENTANECARBOXYLIC ACID
CAS No: 859181-99-0 Catalog No: AG004QMM MDL No:
Product Description
Catalog Number:
AG004QMM
Chemical Name:
1-[(4-METHOXYPHENYL)AMINO]CYCLOPENTANECARBOXYLIC ACID
CAS Number:
859181-99-0
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
1-(4-methoxyanilino)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C13H17NO3/c1-17-11-6-4-10(5-7-11)14-13(12(15)16)8-2-3-9-13/h4-7,14H,2-3,8-9H2,1H3,(H,15,16)
InChI Key:
RJXWLNSCBGKJTQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC1(CCCC1)C(=O)O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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