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92030-73-4 | 3,3,6-trimethyl-1-(propan-2-yl)octahydro-2,1-benzoxazole
CAS No: 92030-73-4 Catalog No: AG006EPO MDL No:
Product Description
Catalog Number:
AG006EPO
Chemical Name:
3,3,6-trimethyl-1-(propan-2-yl)octahydro-2,1-benzoxazole
CAS Number:
92030-73-4
Molecular Formula:
C13H25NO
Molecular Weight:
211.3437
IUPAC Name:
3,3,6-trimethyl-1-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2,1-benzoxazole
InChI:
InChI=1S/C13H25NO/c1-9(2)14-12-8-10(3)6-7-11(12)13(4,5)15-14/h9-12H,6-8H2,1-5H3
InChI Key:
NANSZPPPRQQTJB-UHFFFAOYSA-N
SMILES:
CC1CCC2C(C1)N(OC2(C)C)C(C)C
NSC Number:
152370
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.194g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.349g/mol
Monoisotopic Mass:
211.194g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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