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87580-59-4 | 2-Butenal, 3-(4-methoxyphenyl)-, (Z)-
CAS No: 87580-59-4 Catalog No: AG004QZ3 MDL No:
Product Description
Catalog Number:
AG004QZ3
Chemical Name:
2-Butenal, 3-(4-methoxyphenyl)-, (Z)-
CAS Number:
87580-59-4
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
3-(4-methoxyphenyl)but-2-enal
InChI:
InChI=1S/C11H12O2/c1-9(7-8-12)10-3-5-11(13-2)6-4-10/h3-8H,1-2H3
InChI Key:
JRWPBBXPNLJFMJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C(=C\C=O)/C
Properties
Complexity:
188
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:
2.4
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