(3-methyl-2-nitrophenyl)methanol

(3-methyl-2-nitrophenyl)methanol

CAS: 80866-76-8

Formula: C8H9NO3

SMILES: CC1=C(C(CO)=CC=C1)[N+]([O-])=O

IUPAC: (3-methyl-2-nitrophenyl)methanol

InChI: InChI=1S/C8H9NO3/c1-6-3-2-4-7(5-10)8(6)9(11)12/h2-4,10H,5H2,1H3

Composition: C (57.48%), H (5.43%), N (8.38%), O (28.71%)

Molar Mass: 167.164

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.058243154
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NELPTBUSFQMYOB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.24
Topological Polar Surface Area	63.37
Polarizability	16.45
Ring Count	1
Rotatable Bond Count	2

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