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30334-91-9 | 2-Pentene-1,4-dione, 1,2-diphenyl-, (2Z)-
CAS No: 30334-91-9 Catalog No: AG002ZSI MDL No:
Product Description
Catalog Number:
AG002ZSI
Chemical Name:
2-Pentene-1,4-dione, 1,2-diphenyl-, (2Z)-
CAS Number:
30334-91-9
Molecular Formula:
C17H14O2
Molecular Weight:
250.2919
IUPAC Name:
1,2-diphenylpent-2-ene-1,4-dione
InChI:
InChI=1S/C17H14O2/c1-13(18)12-16(14-8-4-2-5-9-14)17(19)15-10-6-3-7-11-15/h2-12H,1H3
InChI Key:
WLXRVVHLWIVPLE-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C(\C(=O)c1ccccc1)/c1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.297g/mol
Monoisotopic Mass:
250.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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