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17957-87-8 | Cyclopenta[c]pyran-3(1H)-one, hexahydro-7-methyl-, (4aR,7R,7aR)-
CAS No: 17957-87-8 Catalog No: AG00274I MDL No:
Product Description
Catalog Number:
AG00274I
Chemical Name:
Cyclopenta[c]pyran-3(1H)-one, hexahydro-7-methyl-, (4aR,7R,7aR)-
CAS Number:
17957-87-8
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
(4aR,7R,7aR)-7-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
InChI:
InChI=1S/C9H14O2/c1-6-2-3-7-4-9(10)11-5-8(6)7/h6-8H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChI Key:
VGWJUWSHYRJZKH-BWZBUEFSSA-N
SMILES:
O=C1OC[C@H]2[C@@H](C1)CC[C@H]2C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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