200,000+ products from a single source!
sales@angenechem.com
168072-81-9 | Benzeneacetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 168072-81-9 Catalog No: AG001XRG MDL No:MFCD09759115
Product Description
Catalog Number:
AG001XRG
Chemical Name:
Benzeneacetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
168072-81-9
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
MDL Number:
MFCD09759115
IUPAC Name:
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid
InChI:
InChI=1S/C13H16O4/c1-13(2,3)17-12(16)10-7-5-4-6-9(10)8-11(14)15/h4-7H,8H2,1-3H3,(H,14,15)
InChI Key:
FVHGXAUPJLPAKC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1C(=O)OC(C)(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.