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141113-49-7 | Acetic acid, 2-[(2-oxo-3-phenyl-2H-1-benzopyran-7-yl)oxy]-
CAS No: 141113-49-7 Catalog No: AG001FXV MDL No:MFCD09843368
Product Description
Catalog Number:
AG001FXV
Chemical Name:
Acetic acid, 2-[(2-oxo-3-phenyl-2H-1-benzopyran-7-yl)oxy]-
CAS Number:
141113-49-7
Molecular Formula:
C17H12O5
Molecular Weight:
296.2742
MDL Number:
MFCD09843368
IUPAC Name:
2-(2-oxo-3-phenylchromen-7-yl)oxyacetic acid
InChI:
InChI=1S/C17H12O5/c18-16(19)10-21-13-7-6-12-8-14(11-4-2-1-3-5-11)17(20)22-15(12)9-13/h1-9H,10H2,(H,18,19)
InChI Key:
WNYVZBLBZWILFE-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc2c(c1)oc(=O)c(c2)c1ccccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.278g/mol
Monoisotopic Mass:
296.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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