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72635-72-4 | 1,4-Cyclohexadiene-1-carboxaldehyde, 5-(methoxymethyl)-, oxime, (E)-
CAS No: 72635-72-4 Catalog No: AG005FSF MDL No:
Product Description
Catalog Number:
AG005FSF
Chemical Name:
1,4-Cyclohexadiene-1-carboxaldehyde, 5-(methoxymethyl)-, oxime, (E)-
CAS Number:
72635-72-4
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
N-[[5-(methoxymethyl)cyclohexa-1,4-dien-1-yl]methylidene]hydroxylamine
InChI:
InChI=1S/C9H13NO2/c1-12-7-9-4-2-3-8(5-9)6-10-11/h3-4,6,11H,2,5,7H2,1H3
InChI Key:
WZXUHKIZBJGNSS-UHFFFAOYSA-N
SMILES:
COCC1=CCC=C(C1)/C=N/O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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