Name: Name:Benzenemethanol, |á-ethynyl-3-nitro-
Brand: Angene
SKU: AG005075
Rating: 90 (10 reviews)

Benzenemethanol, |á-ethynyl-3-nitro-

CAS No.:

83494-25-1

Catalog Number:

AG005075

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

Catalog Number:

AG005075

Chemical Name:

Benzenemethanol, |á-ethynyl-3-nitro-

CAS Number:

83494-25-1

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

MDL Number:

MFCD21604457

IUPAC Name:

1-(3-nitrophenyl)prop-2-yn-1-ol

InChI:

InChI=1S/C9H7NO3/c1-2-9(11)7-4-3-5-8(6-7)10(12)13/h1,3-6,9,11H

InChI Key:

WACRSIOBIWTUMX-UHFFFAOYSA-N

SMILES:

C#CC(c1cccc(c1)[N+](=O)[O-])O

NSC Number:

89798

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.159g/mol

Monoisotopic Mass:

177.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5