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Home > Aldehydes > 141875-62-9
141875-62-9 | 2H-1,4-Benzoxazine-7-carboxaldehyde, 3,4-dihydro-4-phenyl-
CAS No: 141875-62-9 Catalog No: AG001HAT MDL No:
Product Description
Catalog Number:
AG001HAT
Chemical Name:
2H-1,4-Benzoxazine-7-carboxaldehyde, 3,4-dihydro-4-phenyl-
CAS Number:
141875-62-9
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
4-phenyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde
InChI:
InChI=1S/C15H13NO2/c17-11-12-6-7-14-15(10-12)18-9-8-16(14)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2
InChI Key:
TYGFESVBJRUTBS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)OCCN2c1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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