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125582-89-0 | Butanedioic acid, 2-oxo-3-(phenylmethyl)-, 1,4-di-2-propen-1-yl ester
CAS No: 125582-89-0 Catalog No: AG000NWL MDL No:
Product Description
Catalog Number:
AG000NWL
Chemical Name:
Butanedioic acid, 2-oxo-3-(phenylmethyl)-, 1,4-di-2-propen-1-yl ester
CAS Number:
125582-89-0
Molecular Formula:
C17H18O5
Molecular Weight:
302.3218
IUPAC Name:
bis(prop-2-enyl) 2-benzyl-3-oxobutanedioate
InChI:
InChI=1S/C17H18O5/c1-3-10-21-16(19)14(12-13-8-6-5-7-9-13)15(18)17(20)22-11-4-2/h3-9,14H,1-2,10-12H2
InChI Key:
GCMJPYGDOIPINI-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)C(=O)C(C(=O)OCC=C)Cc1ccccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.326g/mol
Monoisotopic Mass:
302.115g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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