Home Carboxys 1-carboxyindane-1-acetic acid

1-carboxyindane-1-acetic acid

CAS No.:
72735-50-3
Catalog Number:
AG00FH81
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
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Product Description
Catalog Number:
AG00FH81
Chemical Name:
1-carboxyindane-1-acetic acid
CAS Number:
72735-50-3
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD18431649
IUPAC Name:
1-(carboxymethyl)-2,3-dihydroindene-1-carboxylic acid
InChI:
InChI=1S/C12H12O4/c13-10(14)7-12(11(15)16)6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2,(H,13,14)(H,15,16)
InChI Key:
LUVIQIGKOIMWIG-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(CCc2c1cccc2)C(=O)O
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties