Name: Name:(5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[D]ISOXAZOL-3-YL)METHANOL
Brand: Angene
SKU: AG01EMDC
Rating: 90 (10 reviews)

(5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[D]ISOXAZOL-3-YL)METHANOL

CAS No.:

1440961-92-1

Catalog Number:

AG01EMDC

Molecular Formula:

C9H13NO2

Molecular Weight:

167.2050

Catalog Number:

AG01EMDC

Chemical Name:

(5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[D]ISOXAZOL-3-YL)METHANOL

CAS Number:

1440961-92-1

Molecular Formula:

C9H13NO2

Molecular Weight:

167.2050

MDL Number:

MFCD23905175

IUPAC Name:

5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-ylmethanol

InChI:

InChI=1S/C9H13NO2/c11-6-8-7-4-2-1-3-5-9(7)12-10-8/h11H,1-6H2

InChI Key:

WYOOSZMPRJJXKB-UHFFFAOYSA-N

SMILES:

OCc1noc2c1CCCCC2

Complexity:

152

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.208g/mol

Monoisotopic Mass:

167.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3