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177665-49-5

177665-49-5 | Benzeneacetonitrile, 3-(hydroxymethyl)-

CAS No: 177665-49-5 Catalog No: AG0025FW MDL No:MFCD08234487

Product Description

Catalog Number:
AG0025FW
Chemical Name:
Benzeneacetonitrile, 3-(hydroxymethyl)-
CAS Number:
177665-49-5
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD08234487
IUPAC Name:
2-[3-(hydroxymethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H9NO/c10-5-4-8-2-1-3-9(6-8)7-11/h1-3,6,11H,4,7H2
InChI Key:
AIIGUBDBBSHGPG-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)CO

Properties

Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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