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96601-26-2 | 1-Naphthalenecarboxaldehyde, 2-(2-propenyloxy)-, oxime
CAS No: 96601-26-2 Catalog No: AG006PN4 MDL No:
Product Description
Catalog Number:
AG006PN4
Chemical Name:
1-Naphthalenecarboxaldehyde, 2-(2-propenyloxy)-, oxime
CAS Number:
96601-26-2
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
N-[(2-prop-2-enoxynaphthalen-1-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C14H13NO2/c1-2-9-17-14-8-7-11-5-3-4-6-12(11)13(14)10-15-16/h2-8,10,16H,1,9H2
InChI Key:
ZWZMXMHJPULWOB-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc2c(c1C=NO)cccc2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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