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1363210-25-6 | (4,5,6,7-Tetrahydrobenzo[C]Isoxazol-3-Yl)Methanol
CAS No: 1363210-25-6 Catalog No: AG00HUI9 MDL No:MFCD23378487
Product Description
Catalog Number:
AG00HUI9
Chemical Name:
(4,5,6,7-Tetrahydrobenzo[C]Isoxazol-3-Yl)Methanol
CAS Number:
1363210-25-6
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD23378487
IUPAC Name:
4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethanol
InChI:
InChI=1S/C8H11NO2/c10-5-8-6-3-1-2-4-7(6)9-11-8/h10H,1-5H2
InChI Key:
ATQYGVCVGUFDOG-UHFFFAOYSA-N
SMILES:
OCc1onc2c1CCCC2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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