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101999-46-6,MFCD00434035
Catalog No.:AA00064M
101999-46-6 | 2H-Naphtho[1,2-b]pyran-4-acetic acid, 2-oxo-
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Technical Information
Catalog Number:
AA00064M
Chemical Name:
2H-Naphtho[1,2-b]pyran-4-acetic acid, 2-oxo-
CAS Number:
101999-46-6
Molecular Formula:
C15H10O4
Molecular Weight:
254.2375
MDL Number:
MFCD00434035
IUPAC Name:
2-(2-oxobenzo[h]chromen-4-yl)acetic acid
InChI:
InChI=1S/C15H10O4/c16-13(17)7-10-8-14(18)19-15-11-4-2-1-3-9(11)5-6-12(10)15/h1-6,8H,7H2,(H,16,17)
InChI Key:
VATASCPGAABWET-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(=O)oc2c1ccc1c2cccc1
NSC Number:
708903
Properties
Computed Properties
 
Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.058g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.241g/mol
Monoisotopic Mass:
254.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
101999-46-6 
(2-oxo-2H-benzo[h]chromen-4-yl)acetic acid 
IFLab1_004594 
CTK0G7857 
DTXSID40327985 
HMS1371F12 
HMS1425A18 
ZINC2924604 
ZX-CM015274 
BDBM50022185 
CCG-20658 
MFCD00434035 
CHEMBL268279 
STK967956 
AKOS022184366 
MCULE-5819601285 
NSC-708903 
IDI1_010349 
AJ-44306 
2-(2-oxobenzo[h]chromen-4-yl)acetic acid 
(2-Oxo-2H-benzo[h]chromen-4-yl)-acetic acid 
W-6836 
2-(2-Oxo-2H-benzo[h]chromen-4-yl)acetic acid 
2H-Naphtho[1,2-b]pyran-4-acetic acid, 2-oxo- 
SR-01000497030 
SR-01000497030-1 
CID398771 
NSC708903 
ACMC-20awkb 
AC1L9HAD 
ChemDiv2_000826 
Oprea1_120513 
Oprea1_437814 
Literature
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