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84145-60-8 | DODECANEDIOIC ACID COMPD. WITH 2-AMINOETHANOL
CAS No: 84145-60-8 Catalog No: AG004PI6 MDL No:
Product Description
Catalog Number:
AG004PI6
Chemical Name:
DODECANEDIOIC ACID COMPD. WITH 2-AMINOETHANOL
CAS Number:
84145-60-8
Molecular Formula:
C14H29NO5
Molecular Weight:
291.3838
IUPAC Name:
2-aminoethanol;dodecanedioic acid
InChI:
InChI=1S/C12H22O4.C2H7NO/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;3-1-2-4/h1-10H2,(H,13,14)(H,15,16);4H,1-3H2
InChI Key:
QPTBLKXIIYJZBP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCC(=O)O.NCCO
EC Number:
282-287-4
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.205g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
291.388g/mol
Monoisotopic Mass:
291.205g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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