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89111-36-4 | 1H-Benz[e]indene-2-acetic acid, 2,3-dihydro-5,7-dimethoxy-
CAS No: 89111-36-4 Catalog No: AG003ZJQ MDL No:
Product Description
Catalog Number:
AG003ZJQ
Chemical Name:
1H-Benz[e]indene-2-acetic acid, 2,3-dihydro-5,7-dimethoxy-
CAS Number:
89111-36-4
Molecular Formula:
C17H18O4
Molecular Weight:
286.3224
IUPAC Name:
2-(5,7-dimethoxy-2,3-dihydro-1H-cyclopenta[a]naphthalen-2-yl)acetic acid
InChI:
InChI=1S/C17H18O4/c1-20-12-3-4-13-14-6-10(7-17(18)19)5-11(14)8-16(21-2)15(13)9-12/h3-4,8-10H,5-7H2,1-2H3,(H,18,19)
InChI Key:
JKWBDJUBXKKVEB-UHFFFAOYSA-N
SMILES:
COc1cc2CC(Cc2c2c1cc(OC)cc2)CC(=O)O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.327g/mol
Monoisotopic Mass:
286.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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