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133332-31-7 | 2-Propenoic acid, 3-[3-(cyclopentyloxy)-4-methoxyphenyl]-, (2E)-
CAS No: 133332-31-7 Catalog No: AG0014PA MDL No:
Product Description
Catalog Number:
AG0014PA
Chemical Name:
2-Propenoic acid, 3-[3-(cyclopentyloxy)-4-methoxyphenyl]-, (2E)-
CAS Number:
133332-31-7
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C15H18O4/c1-18-13-8-6-11(7-9-15(16)17)10-14(13)19-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,16,17)
InChI Key:
MXGUFYRGSYPSIJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC1CCCC1)/C=C/C(=O)O
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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