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Home Carboxys 1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid

1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid

CAS No.:
850021-37-3
Catalog Number:
AG00IDI6
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
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Product Description
Catalog Number:
AG00IDI6
Chemical Name:
1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid
CAS Number:
850021-37-3
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
MDL Number:
MFCD06385044
IUPAC Name:
1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylic acid
InChI:
InChI=1S/C16H12O4/c17-15(18)11-6-7-13-12(8-11)9-14(20-16(13)19)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,17,18)
InChI Key:
AFKBLZJLXZXBDM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)CC(OC2=O)c1ccccc1
Properties
Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties