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101708-95-6 | 1,2-Hexanedione, 1-phenyl-, 2-oxime
CAS No: 101708-95-6 Catalog No: AG00059K MDL No:
Product Description
Catalog Number:
AG00059K
Chemical Name:
1,2-Hexanedione, 1-phenyl-, 2-oxime
CAS Number:
101708-95-6
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
2-hydroxyimino-1-phenylhexan-1-one
InChI:
InChI=1S/C12H15NO2/c1-2-3-9-11(13-15)12(14)10-7-5-4-6-8-10/h4-8,15H,2-3,9H2,1H3
InChI Key:
MQNFQOHPNUWSRC-UHFFFAOYSA-N
SMILES:
CCCCC(=NO)C(=O)c1ccccc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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