tert-butyl 3-methylbenzoate

tert-butyl 3-methylbenzoate

CAS: 16537-19-2

Formula: C12H16O2

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

IUPAC: tert-butyl 3-methylbenzoate

InChI: InChI=1S/C12H16O2/c1-9-6-5-7-10(8-9)11(13)14-12(2,3)4/h5-8H,1-4H3

Composition: C (74.97%), H (8.39%), O (16.64%)

Molar Mass: 192.258

Atom Count: 30

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.115029755
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	AWWFAZAXUAVMPE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.93
Topological Polar Surface Area	26.3
Polarizability	22.04
Ring Count	1
Rotatable Bond Count	3

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