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14007-02-4 | Benzeneacetic acid, α-hydroxy-, butyl ester
CAS No: 14007-02-4 Catalog No: AG001BZF MDL No:
Product Description
Catalog Number:
AG001BZF
Chemical Name:
Benzeneacetic acid, α-hydroxy-, butyl ester
CAS Number:
14007-02-4
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
butyl 2-hydroxy-2-phenylacetate
InChI:
InChI=1S/C12H16O3/c1-2-3-9-15-12(14)11(13)10-7-5-4-6-8-10/h4-8,11,13H,2-3,9H2,1H3
InChI Key:
QLVXFMSPNHAPMO-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(c1ccccc1)O
EC Number:
237-810-0
NSC Number:
406147
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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