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87627-18-7 | 4H-1-Benzopyran-8-aceticacid, 4-oxo-2-(phenylmethyl)-
CAS No: 87627-18-7 Catalog No: AG004LN3 MDL No:
Product Description
Catalog Number:
AG004LN3
Chemical Name:
4H-1-Benzopyran-8-aceticacid, 4-oxo-2-(phenylmethyl)-
CAS Number:
87627-18-7
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
2-(2-benzyl-4-oxochromen-8-yl)acetic acid
InChI:
InChI=1S/C18H14O4/c19-16-11-14(9-12-5-2-1-3-6-12)22-18-13(10-17(20)21)7-4-8-15(16)18/h1-8,11H,9-10H2,(H,20,21)
InChI Key:
VGVJLJSWNHDQNR-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc2c1oc(Cc1ccccc1)cc2=O
NSC Number:
361582
Properties
Complexity:
462
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:
1
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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