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1142210-97-6 | (3-isopropyl-4,5-dihydro-5-isoxazolyl)methanol
CAS No: 1142210-97-6 Catalog No: AG008V76 MDL No:MFCD12028399
Product Description
Catalog Number:
AG008V76
Chemical Name:
(3-isopropyl-4,5-dihydro-5-isoxazolyl)methanol
CAS Number:
1142210-97-6
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
MDL Number:
MFCD12028399
IUPAC Name:
(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol
InChI:
InChI=1S/C7H13NO2/c1-5(2)7-3-6(4-9)10-8-7/h5-6,9H,3-4H2,1-2H3
InChI Key:
FPXNMBMOFWRJTB-UHFFFAOYSA-N
SMILES:
OCC1ON=C(C1)C(C)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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