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1504762-46-2 | (5,5-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanol
CAS No: 1504762-46-2 Catalog No: AG01BRM6 MDL No:MFCD23905158
Product Description
Catalog Number:
AG01BRM6
Chemical Name:
(5,5-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanol
CAS Number:
1504762-46-2
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD23905158
IUPAC Name:
(5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol
InChI:
InChI=1S/C10H15NO2/c1-10(2)4-3-9-7(5-10)8(6-12)11-13-9/h12H,3-6H2,1-2H3
InChI Key:
BZMXCPHMFCXYGJ-UHFFFAOYSA-N
SMILES:
OCc1noc2c1CC(C)(C)CC2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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