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141451-14-1 | 3-Cyclohexene-1-methanol, 2,4,6-trimethyl-, carbonate (2:1) (9CI)
CAS No: 141451-14-1 Catalog No: AG001GEN MDL No:
Product Description
Catalog Number:
AG001GEN
Chemical Name:
3-Cyclohexene-1-methanol, 2,4,6-trimethyl-, carbonate (2:1) (9CI)
CAS Number:
141451-14-1
Molecular Formula:
C21H38O5
Molecular Weight:
370.5234
IUPAC Name:
carbonic acid;(2,4,6-trimethylcyclohex-3-en-1-yl)methanol
InChI:
InChI=1S/2C10H18O.CH2O3/c2*1-7-4-8(2)10(6-11)9(3)5-7;2-1(3)4/h2*4,8-11H,5-6H2,1-3H3;(H2,2,3,4)
InChI Key:
AYOVIBZDUBBRKB-UHFFFAOYSA-N
SMILES:
OC(=O)O.OCC1C(C)CC(=CC1C)C.OCC1C(C)CC(=CC1C)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.272g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
370.53g/mol
Monoisotopic Mass:
370.272g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
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