3-[3-(dimethylamino)phenyl]-3-oxopropanenitrile

3-[3-(dimethylamino)phenyl]-3-oxopropanenitrile

CAS: 887591-49-3

Formula: C11H12N2O

SMILES: CN(C)C1=CC=CC(=C1)C(=O)CC#N

IUPAC: 3-[3-(dimethylamino)phenyl]-3-oxopropanenitrile

InChI: InChI=1S/C11H12N2O/c1-13(2)10-5-3-4-9(8-10)11(14)6-7-12/h3-5,8H,6H2,1-2H3

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	1
Asymmetric Atom Count	0
Exact Mass	188.094963014
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YJUXSNSKJGQSBR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.21
Topological Polar Surface Area	44.1
Polarizability	20.57
Ring Count	1
Rotatable Bond Count	3

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95%	<5 Days	887591-49-3		$2,200.00-$3,740.00$2,200.00$2,860.00$3,740.00