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1-methylnaphthalene-2-carboxylic acid

1-methylnaphthalene-2-carboxylic acid

CAS: 4488-44-2

Formula: C12H10O2

SMILES: CC1=C(C=CC2=CC=CC=C12)C(O)=O

IUPAC: 1-methylnaphthalene-2-carboxylic acid

InChI: InChI=1S/C12H10O2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-7H,1H3,(H,13,14)

Composition: C (77.40%), H (5.41%), O (17.18%)

Molar Mass: 186.21

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 186.068079562
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IDTDAMGQDWDZEU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.81
Topological Polar Surface Area 37.3
Polarizability 21.95
Ring Count 2
Rotatable Bond Count 1

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