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6976-70-1 | 2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxolane
CAS No: 6976-70-1 Catalog No: AG005I0G MDL No:
Product Description
Catalog Number:
AG005I0G
Chemical Name:
2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxolane
CAS Number:
6976-70-1
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxolane
InChI:
InChI=1S/C10H16O2/c1-8-4-2-3-5-9(8)10-11-6-7-12-10/h2-3,8-10H,4-7H2,1H3
InChI Key:
WNTBVTGTPLCGSM-UHFFFAOYSA-N
SMILES:
CC1CC=CCC1C1OCCO1
NSC Number:
24773
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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