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Home > Other Heterocycles > 1414513-75-9
1414513-75-9 | 6-Phenyl-2-oxa-spiro[3.3]heptane-6-carbonitrile
CAS No: 1414513-75-9 Catalog No: AG00HW01 MDL No:
Product Description
Catalog Number:
AG00HW01
Chemical Name:
6-Phenyl-2-oxa-spiro[3.3]heptane-6-carbonitrile
CAS Number:
1414513-75-9
IUPAC Name:
6-phenyl-2-oxaspiro[3.3]heptane-6-carbonitrile
InChI:
InChI=1S/C13H13NO/c14-8-13(11-4-2-1-3-5-11)6-12(7-13)9-15-10-12/h1-5H,6-7,9-10H2
InChI Key:
QZGRQRCGRXVDNX-UHFFFAOYSA-N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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