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31127-39-6 | 1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-, oxime
CAS No: 31127-39-6 Catalog No: AG00326H MDL No:MFCD00862517
Product Description
Catalog Number:
AG00326H
Chemical Name:
1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-, oxime
CAS Number:
31127-39-6
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD00862517
IUPAC Name:
(NE)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydroxylamine
InChI:
InChI=1S/C9H9NO3/c11-10-6-7-1-2-8-9(5-7)13-4-3-12-8/h1-2,5-6,11H,3-4H2/b10-6+
InChI Key:
MQTBKHWWMQAHAF-UXBLZVDNSA-N
SMILES:
ON=Cc1ccc2c(c1)OCCO2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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