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2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol

2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol

CAS: 300573-47-1

Formula: C11H12N2O

SMILES: CC1=C(C(C)=NN1)C1=C(O)C=CC=C1

IUPAC: 2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol

InChI: InChI=1S/C11H12N2O/c1-7-11(8(2)13-12-7)9-5-3-4-6-10(9)14/h3-6,14H,1-2H3,(H,12,13)

Composition: C (70.19%), H (6.43%), N (14.88%), O (8.50%)

Molar Mass: 188.23

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 188.094963014
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey DVDUHUNOCIILFA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.6
Topological Polar Surface Area 48.91
Polarizability 22.24
Ring Count 2
Rotatable Bond Count 0

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