(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride

(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride

CAS: 39637-74-6

Formula: C10H13ClO3

SMILES: CC1(C)[C@@]2(C)CC[C@@]1(OC2=O)C(Cl)=O

IUPAC: (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride

InChI: InChI=1S/C10H13ClO3/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3/t9-,10-/m1/s1

Composition: C (55.44%), H (6.05%), Cl (16.36%), O (22.15%)

Molar Mass: 216.66

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	216.055322
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PAXWODJTHKJQDZ-VHSXEESVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.78
Topological Polar Surface Area	43.37
Polarizability	20.49
Ring Count	2
Rotatable Bond Count	1

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