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832721-49-0 | Benzofuran, 2,3,3a,4,7,7a-hexahydro-5-methyl-
CAS No: 832721-49-0 Catalog No: AG004TTX MDL No:
Product Description
Catalog Number:
AG004TTX
Chemical Name:
Benzofuran, 2,3,3a,4,7,7a-hexahydro-5-methyl-
CAS Number:
832721-49-0
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
5-methyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran
InChI:
InChI=1S/C9H14O/c1-7-2-3-9-8(6-7)4-5-10-9/h2,8-9H,3-6H2,1H3
InChI Key:
PUHAAPKAAHLZGP-UHFFFAOYSA-N
SMILES:
CC1=CCC2C(C1)CCO2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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