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826990-99-2 | 2-Propenoic acid, 3,3'-(1,2-phenylene)bis-, dibutyl ester
CAS No: 826990-99-2 Catalog No: AG004WU3 MDL No:
Product Description
Catalog Number:
AG004WU3
Chemical Name:
2-Propenoic acid, 3,3'-(1,2-phenylene)bis-, dibutyl ester
CAS Number:
826990-99-2
Molecular Formula:
C20H26O4
Molecular Weight:
330.4180
IUPAC Name:
butyl 3-[2-(3-butoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
InChI:
InChI=1S/C20H26O4/c1-3-5-15-23-19(21)13-11-17-9-7-8-10-18(17)12-14-20(22)24-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChI Key:
PBSSCFKEPDJUDU-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C=Cc1ccccc1C=CC(=O)OCCCC
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.183g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.424g/mol
Monoisotopic Mass:
330.183g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5
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