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89111-45-5 | 2-Phenanthrenecarboxylic acid, 1,2,3,4-tetrahydro-7,9-dimethoxy-
CAS No: 89111-45-5 Catalog No: AG003ZT5 MDL No:
Product Description
Catalog Number:
AG003ZT5
Chemical Name:
2-Phenanthrenecarboxylic acid, 1,2,3,4-tetrahydro-7,9-dimethoxy-
CAS Number:
89111-45-5
Molecular Formula:
C17H18O4
Molecular Weight:
286.3224
IUPAC Name:
7,9-dimethoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid
InChI:
InChI=1S/C17H18O4/c1-20-12-4-6-14-13-5-3-10(17(18)19)7-11(13)8-16(21-2)15(14)9-12/h4,6,8-10H,3,5,7H2,1-2H3,(H,18,19)
InChI Key:
DCRJXJZJWMPCKQ-UHFFFAOYSA-N
SMILES:
COc1cc2CC(CCc2c2c1cc(OC)cc2)C(=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:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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