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17362-17-3 | Benzenepropanenitrile, 4-hydroxy-
CAS No: 17362-17-3 Catalog No: AG001Z2X MDL No:MFCD00016492
Product Description
Catalog Number:
AG001Z2X
Chemical Name:
Benzenepropanenitrile, 4-hydroxy-
CAS Number:
17362-17-3
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00016492
IUPAC Name:
3-(4-hydroxyphenyl)propanenitrile
InChI:
InChI=1S/C9H9NO/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,11H,1-2H2
InChI Key:
KDMJGLYRWRHKJS-UHFFFAOYSA-N
SMILES:
N#CCCc1ccc(cc1)O
EC Number:
241-393-0
NSC Number:
163340
Properties
Complexity:
150
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:
1.7
Literature
| Title | Journal |
|---|---|
| Estradiol meets notch signaling in developing neurons. | Frontiers in endocrinology 20110101 |
| Inhibition of mammary tumor growth by estrogens: is there a specific role for estrogen receptors alpha and beta? | Breast cancer research and treatment 20101001 |
| Complex metabolism of aromatic glucosinolates in Pieris rapae caterpillars involving nitrile formation, hydroxylation, demethylation, sulfation, and host plant dependent carboxylic acid formation. | Insect biochemistry and molecular biology 20100201 |
| Rapid modulation of long-term depression and spinogenesis via synaptic estrogen receptors in hippocampal principal neurons. | Journal of neurochemistry 20070201 |
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