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1804-15-5 | Propanal, 2-(hydroxyimino)-, oxime
CAS No: 1804-15-5 Catalog No: AG0021Z5 MDL No:MFCD00059608
Product Description
Catalog Number:
AG0021Z5
Chemical Name:
Propanal, 2-(hydroxyimino)-, oxime
CAS Number:
1804-15-5
Molecular Formula:
C3H6N2O2
Molecular Weight:
102.0919
MDL Number:
MFCD00059608
IUPAC Name:
(NE)-N-[(1E)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
InChI:
InChI=1S/C3H6N2O2/c1-3(5-7)2-4-6/h2,6-7H,1H3/b4-2+,5-3+
InChI Key:
KFTHGQZJWAXFGG-ZUVMSYQZSA-N
SMILES:
ON=CC(=NO)C
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
102.043g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
102.093g/mol
Monoisotopic Mass:
102.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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