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1620-00-4 | 1H-Indene-3-acetic acid
CAS No: 1620-00-4 Catalog No: AG001SME MDL No:
Product Description
Catalog Number:
AG001SME
Chemical Name:
1H-Indene-3-acetic acid
CAS Number:
1620-00-4
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
2-(3H-inden-1-yl)acetic acid
InChI:
InChI=1S/C11H10O2/c12-11(13)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,6H,5,7H2,(H,12,13)
InChI Key:
JMNVALXGIOSFGW-UHFFFAOYSA-N
SMILES:
OC(=O)CC1=CCc2c1cccc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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