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101002-46-4 | 4H-1-Benzopyran-8-acetic acid, 2-(4-chlorophenyl)-4-oxo-
CAS No: 101002-46-4 Catalog No: AG0003GW MDL No:
Product Description
Catalog Number:
AG0003GW
Chemical Name:
4H-1-Benzopyran-8-acetic acid, 2-(4-chlorophenyl)-4-oxo-
CAS Number:
101002-46-4
Molecular Formula:
C17H11ClO4
Molecular Weight:
314.7198
IUPAC Name:
2-[2-(4-chlorophenyl)-4-oxochromen-8-yl]acetic acid
InChI:
InChI=1S/C17H11ClO4/c18-12-6-4-10(5-7-12)15-9-14(19)13-3-1-2-11(8-16(20)21)17(13)22-15/h1-7,9H,8H2,(H,20,21)
InChI Key:
AYHLXPWYEQTAJS-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc2c1oc(cc2=O)c1ccc(cc1)Cl
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.035g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.721g/mol
Monoisotopic Mass:
314.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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