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Home > Other Heterocycles > 42477-94-1
42477-94-1 | (1R,4S,6S)-1-Methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane
CAS No: 42477-94-1 Catalog No: AG00727S MDL No:MFCD22683878
Product Description
Catalog Number:
AG00727S
Chemical Name:
(1R,4S,6S)-1-Methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane
CAS Number:
42477-94-1
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
MDL Number:
MFCD22683878
IUPAC Name:
(1R,4S,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9-,10+/m0/s1
InChI Key:
CCEFMUBVSUDRLG-LPEHRKFASA-N
SMILES:
CC(=C)[C@H]1CC[C@@]2([C@H](C1)O2)C
UNII:
9HCX9R999Q
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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