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70591-87-6 | 3-(4-HYDROXY-PHENYL)-3-OXO-PROPIONITRILE
CAS No: 70591-87-6 Catalog No: AG005HR0 MDL No:MFCD07786224
Product Description
Catalog Number:
AG005HR0
Chemical Name:
3-(4-HYDROXY-PHENYL)-3-OXO-PROPIONITRILE
CAS Number:
70591-87-6
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD07786224
IUPAC Name:
3-(4-hydroxyphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H7NO2/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,11H,5H2
InChI Key:
ZGTRHIKPTOSLKT-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cc1)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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