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72928-40-6 | Carbonic acid, ethyl2-phenylethyl ester
CAS No: 72928-40-6 Catalog No: AG005DWG MDL No:
Product Description
Catalog Number:
AG005DWG
Chemical Name:
Carbonic acid, ethyl2-phenylethyl ester
CAS Number:
72928-40-6
Molecular Formula:
C11H13O3-
Molecular Weight:
193.2191
IUPAC Name:
ethyl 2-phenylethyl carbonate
InChI:
InChI=1S/C11H14O3/c1-2-13-11(12)14-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
HPJTVWUFDOZSMI-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)COC(=O)[O-]
EC Number:
277-071-1
NSC Number:
203411
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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