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115730-38-6 | 1-Cyclohexene-1,3-dicarboxylic acid, 3-amino-, (R)- (9CI)
CAS No: 115730-38-6 Catalog No: AG000GSB MDL No:
Product Description
Catalog Number:
AG000GSB
Chemical Name:
1-Cyclohexene-1,3-dicarboxylic acid, 3-amino-, (R)- (9CI)
CAS Number:
115730-38-6
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
IUPAC Name:
3-aminocyclohexene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H11NO4/c9-8(7(12)13)3-1-2-5(4-8)6(10)11/h4H,1-3,9H2,(H,10,11)(H,12,13)
InChI Key:
FKLNOSKKRHEKRF-UHFFFAOYSA-N
SMILES:
OC(=O)C1=C[C@@](CCC1)(N)C(=O)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
185.179g/mol
Monoisotopic Mass:
185.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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