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893638-91-0 | 4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylmethanol
CAS No: 893638-91-0 Catalog No: AG00GVF3 MDL No:MFCD08701254
Product Description
Catalog Number:
AG00GVF3
Chemical Name:
4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylmethanol
CAS Number:
893638-91-0
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD08701254
IUPAC Name:
4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol
InChI:
InChI=1S/C8H11NO2/c10-5-7-6-3-1-2-4-8(6)11-9-7/h10H,1-5H2
InChI Key:
CYPCPJLLNKCLRH-UHFFFAOYSA-N
SMILES:
OCc1noc2c1CCCC2
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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