methyl 3-methyl-4-(prop-2-enamido)benzoate

methyl 3-methyl-4-(prop-2-enamido)benzoate

CAS: 1156924-83-2

Formula: C12H13NO3

SMILES: COC(=O)C1=CC(C)=C(NC(=O)C=C)C=C1

IUPAC: methyl 3-methyl-4-(prop-2-enamido)benzoate

InChI: InChI=1S/C12H13NO3/c1-4-11(14)13-10-6-5-9(7-8(10)2)12(15)16-3/h4-7H,1H2,2-3H3,(H,13,14)

Composition: C (65.74%), H (5.98%), N (6.39%), O (21.89%)

Molar Mass: 219.24

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.089543283
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PRFHGDNJEDFAKC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.64
Topological Polar Surface Area	55.4
Polarizability	23
Ring Count	1
Rotatable Bond Count	4

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