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24467-92-3 | 1H-Indene-1-acetic acid, 2,3-dihydro-6-methoxy-3-oxo-
CAS No: 24467-92-3 Catalog No: AG002O8L MDL No:MFCD00003787
Product Description
Catalog Number:
AG002O8L
Chemical Name:
1H-Indene-1-acetic acid, 2,3-dihydro-6-methoxy-3-oxo-
CAS Number:
24467-92-3
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD00003787
IUPAC Name:
2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetic acid
InChI:
InChI=1S/C12H12O4/c1-16-8-2-3-9-10(6-8)7(4-11(9)13)5-12(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChI Key:
QOTZOFGBBCMWEP-UHFFFAOYSA-N
SMILES:
COc1cc2C(CC(=O)O)CC(=O)c2cc1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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