4-[(1R)-1-hydroxyethyl]benzonitrile

4-[(1R)-1-hydroxyethyl]benzonitrile

CAS: 101219-69-6

Formula: C9H9NO

SMILES: C[C@@H](O)C1=CC=C(C=C1)C#N

IUPAC: 4-[(1R)-1-hydroxyethyl]benzonitrile

InChI: InChI=1S/C9H9NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,1H3/t7-/m1/s1

Composition: C (73.45%), H (6.16%), N (9.52%), O (10.87%)

Molar Mass: 147.177

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	147.068413914
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XGAVOODMMBMCKV-SSDOTTSWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.01
Topological Polar Surface Area	44.02
Polarizability	16.45
Ring Count	1
Rotatable Bond Count	1

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