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1197-54-2 | Cyclohexaneacetic acid, 4-amino-
CAS No: 1197-54-2 Catalog No: AG000PHR MDL No:MFCD01995053
Product Description
Catalog Number:
AG000PHR
Chemical Name:
Cyclohexaneacetic acid, 4-amino-
CAS Number:
1197-54-2
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
MDL Number:
MFCD01995053
IUPAC Name:
2-(4-aminocyclohexyl)acetic acid
InChI:
InChI=1S/C8H15NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7H,1-5,9H2,(H,10,11)
InChI Key:
XVDSFSRMHSDHGJ-UHFFFAOYSA-N
SMILES:
NC1CCC(CC1)CC(=O)O
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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