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7480-30-0 | 2(3H)-Benzoxazolone, hexahydro-, cis-
CAS No: 7480-30-0 Catalog No: AG00598J MDL No:
Product Description
Catalog Number:
AG00598J
Chemical Name:
2(3H)-Benzoxazolone, hexahydro-, cis-
CAS Number:
7480-30-0
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C7H11NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h5-6H,1-4H2,(H,8,9)/t5-,6+/m1/s1
InChI Key:
MZZMFGLUGZUKRI-RITPCOANSA-N
SMILES:
O=C1N[C@H]2[C@@H](O1)CCCC2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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