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89646-05-9 | 2-Phenanthrenecarboxylic acid, 3,4-dihydro-1-methyl-
CAS No: 89646-05-9 Catalog No: AG003VK9 MDL No:
Product Description
Catalog Number:
AG003VK9
Chemical Name:
2-Phenanthrenecarboxylic acid, 3,4-dihydro-1-methyl-
CAS Number:
89646-05-9
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
IUPAC Name:
1-methyl-3,4-dihydrophenanthrene-2-carboxylic acid
InChI:
InChI=1S/C16H14O2/c1-10-12-7-6-11-4-2-3-5-14(11)15(12)9-8-13(10)16(17)18/h2-7H,8-9H2,1H3,(H,17,18)
InChI Key:
DUJDRISBKMJKDC-UHFFFAOYSA-N
SMILES:
OC(=O)C1=C(C)c2c(CC1)c1ccccc1cc2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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