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155306-02-8 | Propanedioic acid, 2-(phenylmethylene)-, 1,3-bis(1-methylethyl) ester
CAS No: 155306-02-8 Catalog No: AG001NTV MDL No:
Product Description
Catalog Number:
AG001NTV
Chemical Name:
Propanedioic acid, 2-(phenylmethylene)-, 1,3-bis(1-methylethyl) ester
CAS Number:
155306-02-8
Molecular Formula:
C16H20O4
Molecular Weight:
276.3276
IUPAC Name:
dipropan-2-yl 2-benzylidenepropanedioate
InChI:
InChI=1S/C16H20O4/c1-11(2)19-15(17)14(16(18)20-12(3)4)10-13-8-6-5-7-9-13/h5-12H,1-4H3
InChI Key:
IWBRIUOCFWJGPP-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C(=Cc1ccccc1)C(=O)OC(C)C)C
NSC Number:
70048
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.332g/mol
Monoisotopic Mass:
276.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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