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125166-26-9 | Phenanthrenecarboxylic acid, methyl- (9CI)
CAS No: 125166-26-9 Catalog No: AG000N9Q MDL No:
Product Description
Catalog Number:
AG000N9Q
Chemical Name:
Phenanthrenecarboxylic acid, methyl- (9CI)
CAS Number:
125166-26-9
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
IUPAC Name:
2-methylphenanthrene-1-carboxylic acid
InChI:
InChI=1S/C16H12O2/c1-10-6-8-13-12-5-3-2-4-11(12)7-9-14(13)15(10)16(17)18/h2-9H,1H3,(H,17,18)
InChI Key:
YOHZZFBEXPAOPC-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)ccc2c1ccc1c2cccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.27g/mol
Monoisotopic Mass:
236.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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