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89550-50-5 | 2-Propenoic acid, 3-[4-(2,4-dihydroxybenzoyl)phenyl]-
CAS No: 89550-50-5 Catalog No: AG003YD6 MDL No:
Product Description
Catalog Number:
AG003YD6
Chemical Name:
2-Propenoic acid, 3-[4-(2,4-dihydroxybenzoyl)phenyl]-
CAS Number:
89550-50-5
Molecular Formula:
C16H12O5
Molecular Weight:
284.2635
IUPAC Name:
3-[4-(2,4-dihydroxybenzoyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C16H12O5/c17-12-6-7-13(14(18)9-12)16(21)11-4-1-10(2-5-11)3-8-15(19)20/h1-9,17-18H,(H,19,20)
InChI Key:
MQFUGENCLGAACB-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1)C(=O)c1ccc(cc1O)O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
284.267g/mol
Monoisotopic Mass:
284.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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