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19355-31-8 | 3-Methyl-3-m-tolylbutanoic acid
CAS No: 19355-31-8 Catalog No: AG01FEY0 MDL No:
Product Description
Catalog Number:
AG01FEY0
Chemical Name:
3-Methyl-3-m-tolylbutanoic acid
CAS Number:
19355-31-8
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
3-methyl-3-(3-methylphenyl)butanoic acid
InChI:
InChI=1S/C12H16O2/c1-9-5-4-6-10(7-9)12(2,3)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChI Key:
WXPMUKIBMKPKPW-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccc(c1)C)(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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