Home Carboxys 1-benzyl-2,3-dihydro-1H-indene-1-carboxylic acid

1-benzyl-2,3-dihydro-1H-indene-1-carboxylic acid

CAS No.:
872785-39-2
Catalog Number:
AG00H3SQ
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
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Product Description
Catalog Number:
AG00H3SQ
Chemical Name:
1-benzyl-2,3-dihydro-1H-indene-1-carboxylic acid
CAS Number:
872785-39-2
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
MDL Number:
MFCD21230195
IUPAC Name:
1-benzyl-2,3-dihydroindene-1-carboxylic acid
InChI:
InChI=1S/C17H16O2/c18-16(19)17(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)17/h1-9H,10-12H2,(H,18,19)
InChI Key:
DVUFWAJSVZUQTP-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCc2c1cccc2)Cc1ccccc1
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.115g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.313g/mol
Monoisotopic Mass:
252.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties