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87087-33-0 | 2-Propenoic acid, 3-(3-phenoxyphenyl)-, methyl ester
CAS No: 87087-33-0 Catalog No: AG004UWI MDL No:
Product Description
Catalog Number:
AG004UWI
Chemical Name:
2-Propenoic acid, 3-(3-phenoxyphenyl)-, methyl ester
CAS Number:
87087-33-0
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
methyl 3-(3-phenoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C16H14O3/c1-18-16(17)11-10-13-6-5-9-15(12-13)19-14-7-3-2-4-8-14/h2-12H,1H3
InChI Key:
GPKUSCCWJPPDPE-UHFFFAOYSA-N
SMILES:
COC(=O)C=Cc1cccc(c1)Oc1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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