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85439-03-8 | Benzaldehyde,4-[bis[2-(acetyloxy)ethyl]amino]-2-methyl-
CAS No: 85439-03-8 Catalog No: AG008F3Z MDL No:
Product Description
Catalog Number:
AG008F3Z
Chemical Name:
Benzaldehyde,4-[bis[2-(acetyloxy)ethyl]amino]-2-methyl-
CAS Number:
85439-03-8
Molecular Formula:
C16H21NO5
Molecular Weight:
307.3416
IUPAC Name:
2-[N-(2-acetyloxyethyl)-4-formyl-3-methylanilino]ethyl acetate
InChI:
InChI=1S/C16H21NO5/c1-12-10-16(5-4-15(12)11-18)17(6-8-21-13(2)19)7-9-22-14(3)20/h4-5,10-11H,6-9H2,1-3H3
InChI Key:
ZYVAZLMINRGIDY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1C)N(CCOC(=O)C)CCOC(=O)C
EC Number:
287-216-0
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.346g/mol
Monoisotopic Mass:
307.142g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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