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10057-05-3 | Propanoic acid, 2-(3-iodophenoxy)-, (R)- (9CI)
CAS No: 10057-05-3 Catalog No: AG0002DH MDL No:
Product Description
Catalog Number:
AG0002DH
Chemical Name:
Propanoic acid, 2-(3-iodophenoxy)-, (R)- (9CI)
CAS Number:
10057-05-3
Molecular Formula:
C9H9IO3
Molecular Weight:
292.0704
IUPAC Name:
(2R)-2-(3-iodophenoxy)propanoic acid
InChI:
InChI=1S/C9H9IO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)/t6-/m1/s1
InChI Key:
ZVSVOTPWXYCJTP-ZCFIWIBFSA-N
SMILES:
OC(=O)[C@H](Oc1cccc(c1)I)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.072g/mol
Monoisotopic Mass:
291.96g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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