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1,3-dimethylnaphthalene

1,3-dimethylnaphthalene

CAS: 575-41-7

Formula: C12H12

SMILES: CC1=CC2=CC=CC=C2C(C)=C1

IUPAC: 1,3-dimethylnaphthalene

InChI: InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3

Composition: C (92.26%), H (7.74%)

Molar Mass: 156.228

Atom Count: 24

Heavy Atom Count: 12

Properties
Properties
Common Names 1,3-dimethylnapthalene
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 156.0939003864
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey QHJMFSMPSZREIF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.59
Topological Polar Surface Area 0
Polarizability 21.58
Ring Count 2
Rotatable Bond Count 0

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