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102018-94-0 | 2,4-Pentadienoic acid, 5-[3-methoxy-4-(phenylmethoxy)phenyl]-
CAS No: 102018-94-0 Catalog No: AG0006C0 MDL No:
Product Description
Catalog Number:
AG0006C0
Chemical Name:
2,4-Pentadienoic acid, 5-[3-methoxy-4-(phenylmethoxy)phenyl]-
CAS Number:
102018-94-0
Molecular Formula:
C19H18O4
Molecular Weight:
310.3438
IUPAC Name:
5-(3-methoxy-4-phenylmethoxyphenyl)penta-2,4-dienoic acid
InChI:
InChI=1S/C19H18O4/c1-22-18-13-15(7-5-6-10-19(20)21)11-12-17(18)23-14-16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,20,21)
InChI Key:
QFGKFUXIYCPRDG-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC=CC(=O)O)ccc1OCc1ccccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.349g/mol
Monoisotopic Mass:
310.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.7
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