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125067-71-2 | 1H-Indene-1-carboxylic acid, 2,3-dihydro-4-methoxy-
CAS No: 125067-71-2 Catalog No: AG000N36 MDL No:
Product Description
Catalog Number:
AG000N36
Chemical Name:
1H-Indene-1-carboxylic acid, 2,3-dihydro-4-methoxy-
CAS Number:
125067-71-2
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
4-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
InChI:
InChI=1S/C11H12O3/c1-14-10-4-2-3-7-8(10)5-6-9(7)11(12)13/h2-4,9H,5-6H2,1H3,(H,12,13)
InChI Key:
CMRDEBQEQQRVER-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CCC2C(=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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