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183252-91-7 | 2-Cyclohexene-1-carbonyl chloride, 4-(1-methylethylidene)-, (S)- (9CI)
CAS No: 183252-91-7 Catalog No: AG0027G1 MDL No:
Product Description
Catalog Number:
AG0027G1
Chemical Name:
2-Cyclohexene-1-carbonyl chloride, 4-(1-methylethylidene)-, (S)- (9CI)
CAS Number:
183252-91-7
Molecular Formula:
C10H13ClO
Molecular Weight:
184.6626
IUPAC Name:
(1S)-4-propan-2-ylidenecyclohex-2-ene-1-carbonyl chloride
InChI:
InChI=1S/C10H13ClO/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3,5,9H,4,6H2,1-2H3/t9-/m1/s1
InChI Key:
POKGYKMJQGROLC-SECBINFHSA-N
SMILES:
ClC(=O)[C@H]1CCC(=C(C)C)C=C1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
184.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.663g/mol
Monoisotopic Mass:
184.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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