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137390-87-5 | 2-Propenoic acid, 3-[4-[3-(2-hydroxyphenyl)-3-oxo-1-propen-1-yl]phenyl]-
CAS No: 137390-87-5 Catalog No: AG00137W MDL No:
Product Description
Catalog Number:
AG00137W
Chemical Name:
2-Propenoic acid, 3-[4-[3-(2-hydroxyphenyl)-3-oxo-1-propen-1-yl]phenyl]-
CAS Number:
137390-87-5
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
3-[4-[3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoic acid
InChI:
InChI=1S/C18H14O4/c19-16-4-2-1-3-15(16)17(20)11-9-13-5-7-14(8-6-13)10-12-18(21)22/h1-12,19H,(H,21,22)
InChI Key:
OMDNSHDTMRKVJP-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1)C=CC(=O)c1ccccc1O
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.8
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