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13030-86-9 | 2H-1-Benzopyran, 3,4,5,6,7,8-hexahydro-5,7-dimethyl-
CAS No: 13030-86-9 Catalog No: AG000U9I MDL No:
Product Description
Catalog Number:
AG000U9I
Chemical Name:
2H-1-Benzopyran, 3,4,5,6,7,8-hexahydro-5,7-dimethyl-
CAS Number:
13030-86-9
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
5,7-dimethyl-3,4,5,6,7,8-hexahydro-2H-chromene
InChI:
InChI=1S/C11H18O/c1-8-6-9(2)10-4-3-5-12-11(10)7-8/h8-9H,3-7H2,1-2H3
InChI Key:
NEBZURVUZFLFCA-UHFFFAOYSA-N
SMILES:
CC1CC(C)C2=C(C1)OCCC2
NSC Number:
106090
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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