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137539-54-9 | Phenol, 2-(1,4,4a,5,8,8a-hexahydro-2H-3,1-benzoxazin-2-yl)-
CAS No: 137539-54-9 Catalog No: AG0013J7 MDL No:
Product Description
Catalog Number:
AG0013J7
Chemical Name:
Phenol, 2-(1,4,4a,5,8,8a-hexahydro-2H-3,1-benzoxazin-2-yl)-
CAS Number:
137539-54-9
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
2-(2,4,4a,5,8,8a-hexahydro-1H-3,1-benzoxazin-2-yl)phenol
InChI:
InChI=1S/C14H17NO2/c16-13-8-4-2-6-11(13)14-15-12-7-3-1-5-10(12)9-17-14/h1-4,6,8,10,12,14-16H,5,7,9H2
InChI Key:
LBEQVSLCPDHYNF-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C1OCC2C(N1)CC=CC2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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