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1131588-03-8 | 3-Iodo-4-propylbenzoic acid
CAS No: 1131588-03-8 Catalog No: AG00HCIY MDL No:MFCD11110762
Product Description
Catalog Number:
AG00HCIY
Chemical Name:
3-Iodo-4-propylbenzoic acid
CAS Number:
1131588-03-8
Molecular Formula:
C10H11IO2
Molecular Weight:
290.0976
MDL Number:
MFCD11110762
IUPAC Name:
3-iodo-4-propylbenzoic acid
InChI:
InChI=1S/C10H11IO2/c1-2-3-7-4-5-8(10(12)13)6-9(7)11/h4-6H,2-3H2,1H3,(H,12,13)
InChI Key:
WFRTYBSOECZTOG-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1I)C(=O)O
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.98g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.1g/mol
Monoisotopic Mass:
289.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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