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1263282-79-6 | Benzeneacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-α-hydroxy-
CAS No: 1263282-79-6 Catalog No: AG000SLK MDL No:
Product Description
Catalog Number:
AG000SLK
Chemical Name:
Benzeneacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-α-hydroxy-
CAS Number:
1263282-79-6
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
IUPAC Name:
2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid
InChI:
InChI=1S/C13H16O5/c1-13(2,3)18-12(17)9-6-4-8(5-7-9)10(14)11(15)16/h4-7,10,14H,1-3H3,(H,15,16)
InChI Key:
GLCNFWQJPDOWAQ-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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