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125699-29-8 | 3-Buten-2-one, 4-[3,4-bis(methoxymethoxy)phenyl]-
CAS No: 125699-29-8 Catalog No: AG000OI6 MDL No:
Product Description
Catalog Number:
AG000OI6
Chemical Name:
3-Buten-2-one, 4-[3,4-bis(methoxymethoxy)phenyl]-
CAS Number:
125699-29-8
Molecular Formula:
C14H18O5
Molecular Weight:
266.2897
IUPAC Name:
4-[3,4-bis(methoxymethoxy)phenyl]but-3-en-2-one
InChI:
InChI=1S/C14H18O5/c1-11(15)4-5-12-6-7-13(18-9-16-2)14(8-12)19-10-17-3/h4-8H,9-10H2,1-3H3
InChI Key:
NMPXKAHYYHUABN-UHFFFAOYSA-N
SMILES:
COCOc1cc(C=CC(=O)C)ccc1OCOC
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.293g/mol
Monoisotopic Mass:
266.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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