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25177-85-9 | 2,3-Dihydro-1H-indene-2-carboxylic acid
CAS No: 25177-85-9 Catalog No: AG002QRJ MDL No:MFCD00085095
Product Description
Catalog Number:
AG002QRJ
Chemical Name:
2,3-Dihydro-1H-indene-2-carboxylic acid
CAS Number:
25177-85-9
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD00085095
IUPAC Name:
2,3-dihydro-1H-indene-2-carboxylic acid
InChI:
InChI=1S/C10H10O2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H,11,12)
InChI Key:
XUDCMQBOWOLYCF-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c(C1)cccc2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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