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828915-01-1 | 2H-1,4-Benzoxazine-3-acetic acid, 3,4-dihydro-2-phenyl-, ethyl ester
CAS No: 828915-01-1 Catalog No: AG0054Y4 MDL No:
Product Description
Catalog Number:
AG0054Y4
Chemical Name:
2H-1,4-Benzoxazine-3-acetic acid, 3,4-dihydro-2-phenyl-, ethyl ester
CAS Number:
828915-01-1
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
ethyl 2-(2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetate
InChI:
InChI=1S/C18H19NO3/c1-2-21-17(20)12-15-18(13-8-4-3-5-9-13)22-16-11-7-6-10-14(16)19-15/h3-11,15,18-19H,2,12H2,1H3
InChI Key:
FJEBCVOMLBIPSX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1Nc2ccccc2OC1c1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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