Home Other Building Blocks 2-{naphtho[2,1-b]furan-2-yl}acetic acid

2-{naphtho[2,1-b]furan-2-yl}acetic acid

CAS No.:
1267431-36-6
Catalog Number:
AG01A1ZU
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
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Product Description
Catalog Number:
AG01A1ZU
Chemical Name:
2-{naphtho[2,1-b]furan-2-yl}acetic acid
CAS Number:
1267431-36-6
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
MDL Number:
MFCD19238345
IUPAC Name:
2-benzo[e][1]benzofuran-2-ylacetic acid
InChI:
InChI=1S/C14H10O3/c15-14(16)8-10-7-12-11-4-2-1-3-9(11)5-6-13(12)17-10/h1-7H,8H2,(H,15,16)
InChI Key:
BLXGYVVRBNUSCK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1oc2c(c1)c1ccccc1cc2
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.063g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.231g/mol
Monoisotopic Mass:
226.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties