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Home > Other Heterocycles > 79634-76-7
79634-76-7 | 2-Oxabicyclo[2.2.1]heptane-1-carbonylchloride, 4,7,7-trimethyl-, (1S)- (9CI)
CAS No: 79634-76-7 Catalog No: AG005197 MDL No:
Product Description
Catalog Number:
AG005197
Chemical Name:
2-Oxabicyclo[2.2.1]heptane-1-carbonylchloride, 4,7,7-trimethyl-, (1S)- (9CI)
CAS Number:
79634-76-7
Molecular Formula:
C10H15ClO2
Molecular Weight:
202.6779
IUPAC Name:
(1S)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride
InChI:
InChI=1S/C10H15ClO2/c1-8(2)9(3)4-5-10(8,7(11)12)13-6-9/h4-6H2,1-3H3/t9?,10-/m1/s1
InChI Key:
HPUSKHGKZGYUPJ-QVDQXJPCSA-N
SMILES:
ClC(=O)[C@@]12CCC(C2(C)C)(CO1)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
202.076g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.678g/mol
Monoisotopic Mass:
202.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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