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1313712-10-5 | Benzeneacetic acid, 3-(1,1-dimethylethyl)-α,α-dimethyl-
CAS No: 1313712-10-5 Catalog No: AG000W0L MDL No:MFCD18910938
Product Description
Catalog Number:
AG000W0L
Chemical Name:
Benzeneacetic acid, 3-(1,1-dimethylethyl)-α,α-dimethyl-
CAS Number:
1313712-10-5
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
MDL Number:
MFCD18910938
IUPAC Name:
2-(3-tert-butylphenyl)-2-methylpropanoic acid
InChI:
InChI=1S/C14H20O2/c1-13(2,3)10-7-6-8-11(9-10)14(4,5)12(15)16/h6-9H,1-5H3,(H,15,16)
InChI Key:
UIEUGESJSVWLTM-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cccc(c1)C(C)(C)C)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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