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887269-73-0 | 2-Propenoic acid, 3-[4-(3-methylbutoxy)phenyl]-, (2E)-
CAS No: 887269-73-0 Catalog No: AG0045MF MDL No:
Product Description
Catalog Number:
AG0045MF
Chemical Name:
2-Propenoic acid, 3-[4-(3-methylbutoxy)phenyl]-, (2E)-
CAS Number:
887269-73-0
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
3-[4-(3-methylbutoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C14H18O3/c1-11(2)9-10-17-13-6-3-12(4-7-13)5-8-14(15)16/h3-8,11H,9-10H2,1-2H3,(H,15,16)
InChI Key:
UEPNKZTXVRVVQK-UHFFFAOYSA-N
SMILES:
CC(CCOc1ccc(cc1)/C=C/C(=O)O)C
Properties
Complexity:
250
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:
1
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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