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861052-38-2 | 3-Buten-2-one, 4-(3-methoxy-4-propoxyphenyl)-
CAS No: 861052-38-2 Catalog No: AG004L34 MDL No:
Product Description
Catalog Number:
AG004L34
Chemical Name:
3-Buten-2-one, 4-(3-methoxy-4-propoxyphenyl)-
CAS Number:
861052-38-2
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
4-(3-methoxy-4-propoxyphenyl)but-3-en-2-one
InChI:
InChI=1S/C14H18O3/c1-4-9-17-13-8-7-12(6-5-11(2)15)10-14(13)16-3/h5-8,10H,4,9H2,1-3H3
InChI Key:
XCXDRUHALNDCNH-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1OC)C=CC(=O)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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