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Home > Other Building Blocks > 121435-94-7
121435-94-7 | 1,2-Butanedione, 1-phenyl-, 2-oxime, (2E)-
CAS No: 121435-94-7 Catalog No: AG0014VK MDL No:
Product Description
Catalog Number:
AG0014VK
Chemical Name:
1,2-Butanedione, 1-phenyl-, 2-oxime, (2E)-
CAS Number:
121435-94-7
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
2-hydroxyimino-1-phenylbutan-1-one
InChI:
InChI=1S/C10H11NO2/c1-2-9(11-13)10(12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3
InChI Key:
PSZPNRHZQKXZRI-UHFFFAOYSA-N
SMILES:
CC/C(=N\O)/C(=O)c1ccccc1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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