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116854-10-5 | 5-Methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CAS No: 116854-10-5 Catalog No: AG000DBO MDL No:MFCD07778334
Product Description
Catalog Number:
AG000DBO
Chemical Name:
5-Methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CAS Number:
116854-10-5
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD07778334
IUPAC Name:
5-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
InChI:
InChI=1S/C11H12O3/c1-14-8-3-5-9-7(6-8)2-4-10(9)11(12)13/h3,5-6,10H,2,4H2,1H3,(H,12,13)
InChI Key:
KWQZTFAAOCBAHM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCC2C(=O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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