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866041-97-6 | (2E)-2-[(E)-4,4-dimethyl-1,3-oxazolidine-3-carbonyl]-3-(4-methoxyphenyl)prop-2-enenitrile
CAS No: 866041-97-6 Catalog No: AG00ITA7 MDL No:MFCD05670479
Product Description
Catalog Number:
AG00ITA7
Chemical Name:
(2E)-2-[(E)-4,4-dimethyl-1,3-oxazolidine-3-carbonyl]-3-(4-methoxyphenyl)prop-2-enenitrile
CAS Number:
866041-97-6
Molecular Formula:
C16H18N2O3
Molecular Weight:
286.3257
MDL Number:
MFCD05670479
IUPAC Name:
2-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile
InChI:
InChI=1S/C16H18N2O3/c1-16(2)10-21-11-18(16)15(19)13(9-17)8-12-4-6-14(20-3)7-5-12/h4-8H,10-11H2,1-3H3
InChI Key:
LUXHUXBAYGFUNG-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccc(cc1)OC)/C(=O)N1COCC1(C)C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.331g/mol
Monoisotopic Mass:
286.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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