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24885-60-7 | 1,3-Cyclohexanedicarboxylic acid, 1-amino-, (1R,3R)-rel-
CAS No: 24885-60-7 Catalog No: AG002PQ4 MDL No:
Product Description
Catalog Number:
AG002PQ4
Chemical Name:
1,3-Cyclohexanedicarboxylic acid, 1-amino-, (1R,3R)-rel-
CAS Number:
24885-60-7
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
IUPAC Name:
(1R,3R)-1-aminocyclohexane-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H13NO4/c9-8(7(12)13)3-1-2-5(4-8)6(10)11/h5H,1-4,9H2,(H,10,11)(H,12,13)/t5-,8-/m1/s1
InChI Key:
FOJYRYZUTAPBAJ-SVGQVSJJSA-N
SMILES:
OC(=O)[C@@H]1CCC[C@](C1)(N)C(=O)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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