Home Other Building Blocks 3-(1H-INDEN-3-YL)PROPANOIC ACID

3-(1H-INDEN-3-YL)PROPANOIC ACID

CAS No.:
100518-71-6
Catalog Number:
AG01DUWC
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
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Product Description
Catalog Number:
AG01DUWC
Chemical Name:
3-(1H-INDEN-3-YL)PROPANOIC ACID
CAS Number:
100518-71-6
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD20639491
IUPAC Name:
3-(3H-inden-1-yl)propanoic acid
InChI:
InChI=1S/C12H12O2/c13-12(14)8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,6H,5,7-8H2,(H,13,14)
InChI Key:
CXELOVCQOUGAHE-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1=CCc2c1cccc2
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties