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210884-99-4 | Benzonitrile, 2-(3-hydroxy-1-propyn-1-yl)-
CAS No: 210884-99-4 Catalog No: AG002L1L MDL No:MFCD04039091
Product Description
Catalog Number:
AG002L1L
Chemical Name:
Benzonitrile, 2-(3-hydroxy-1-propyn-1-yl)-
CAS Number:
210884-99-4
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
MDL Number:
MFCD04039091
IUPAC Name:
2-(3-hydroxyprop-1-ynyl)benzonitrile
InChI:
InChI=1S/C10H7NO/c11-8-10-5-2-1-4-9(10)6-3-7-12/h1-2,4-5,12H,7H2
InChI Key:
ABSXJTJGIGJBOE-UHFFFAOYSA-N
SMILES:
OCC#Cc1ccccc1C#N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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