(2E)-3-(4-ethylphenyl)prop-2-enoic acid

(2E)-3-(4-ethylphenyl)prop-2-enoic acid

CAS: 120680-98-0

Formula: C11H12O2

SMILES: CCC1=CC=C(C=CC(O)=O)C=C1

IUPAC: (2E)-3-(4-ethylphenyl)prop-2-enoic acid

InChI: InChI=1S/C11H12O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-8H,2H2,1H3,(H,12,13)/b8-7+

Composition: C (74.98%), H (6.86%), O (18.16%)

Molar Mass: 176.215

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	176.083729626
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GOIIVCHICYNWSG-BQYQJAHWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.7
Topological Polar Surface Area	37.3
Polarizability	19.72
Ring Count	1
Rotatable Bond Count	3

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