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87954-38-9 | Cyclohexene, 1,3,4-trimethyl-, trans-
CAS No: 87954-38-9 Catalog No: AG004EBZ MDL No:
Product Description
Catalog Number:
AG004EBZ
Chemical Name:
Cyclohexene, 1,3,4-trimethyl-, trans-
CAS Number:
87954-38-9
Molecular Formula:
C9H16
Molecular Weight:
124.2233
IUPAC Name:
(3S,4R)-1,3,4-trimethylcyclohexene
InChI:
InChI=1S/C9H16/c1-7-4-5-8(2)9(3)6-7/h6,8-9H,4-5H2,1-3H3/t8-,9-/m1/s1
InChI Key:
WPWQRKXPPCURBJ-RKDXNWHRSA-N
SMILES:
CC1=C[C@H]([C@@H](CC1)C)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
124.125g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.227g/mol
Monoisotopic Mass:
124.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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