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88958-72-9 | 1-Penten-3-one, 5-phenyl-, oxime
CAS No: 88958-72-9 Catalog No: AG0047SS MDL No:
Product Description
Catalog Number:
AG0047SS
Chemical Name:
1-Penten-3-one, 5-phenyl-, oxime
CAS Number:
88958-72-9
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
N-(5-phenylpent-1-en-3-ylidene)hydroxylamine
InChI:
InChI=1S/C11H13NO/c1-2-11(12-13)9-8-10-6-4-3-5-7-10/h2-7,13H,1,8-9H2
InChI Key:
PUWKWSMKBHOGRT-UHFFFAOYSA-N
SMILES:
C=CC(=NO)CCc1ccccc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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