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30625-53-7 | 3-Buten-2-one, 4-(3-methoxyphenyl)-, (3E)-
CAS No: 30625-53-7 Catalog No: AG0030OQ MDL No:MFCD00136261
Product Description
Catalog Number:
AG0030OQ
Chemical Name:
3-Buten-2-one, 4-(3-methoxyphenyl)-, (3E)-
CAS Number:
30625-53-7
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD00136261
IUPAC Name:
4-(3-methoxyphenyl)but-3-en-2-one
InChI:
InChI=1S/C11H12O2/c1-9(12)6-7-10-4-3-5-11(8-10)13-2/h3-8H,1-2H3
InChI Key:
NGEZPLCPKXKLQQ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)/C=C/C(=O)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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