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1263078-21-2 | Benzeneacetic acid, 4-butyl-α-methyl-, (αR)-
CAS No: 1263078-21-2 Catalog No: AG000SIQ MDL No:
Product Description
Catalog Number:
AG000SIQ
Chemical Name:
Benzeneacetic acid, 4-butyl-α-methyl-, (αR)-
CAS Number:
1263078-21-2
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
(2R)-2-(4-butylphenyl)propanoic acid
InChI:
InChI=1S/C13H18O2/c1-3-4-5-11-6-8-12(9-7-11)10(2)13(14)15/h6-10H,3-5H2,1-2H3,(H,14,15)/t10-/m1/s1
InChI Key:
FEFPDZIYEWFQFK-SNVBAGLBSA-N
SMILES:
CCCCc1ccc(cc1)[C@H](C(=O)O)C
UNII:
T3N3G493N5
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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