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1255098-83-9 | Cyclohexaneacetic acid, 4-(aminomethyl)-, hydrochloride (1:1), trans-
CAS No: 1255098-83-9 Catalog No: AG000NRR MDL No:
Product Description
Catalog Number:
AG000NRR
Chemical Name:
Cyclohexaneacetic acid, 4-(aminomethyl)-, hydrochloride (1:1), trans-
CAS Number:
1255098-83-9
Molecular Formula:
C9H18ClNO2
Molecular Weight:
207.6977
IUPAC Name:
2-[4-(aminomethyl)cyclohexyl]acetic acid;hydrochloride
InChI:
InChI=1S/C9H17NO2.ClH/c10-6-8-3-1-7(2-4-8)5-9(11)12;/h7-8H,1-6,10H2,(H,11,12);1H
InChI Key:
GCQRPHRBRJAQAE-UHFFFAOYSA-N
SMILES:
NC[C@@H]1CC[C@H](CC1)CC(=O)O.Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.103g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.698g/mol
Monoisotopic Mass:
207.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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