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104802-52-0 | trans-Ethyl 4-(hydroxymethyl)cyclohexanecarboxylate
CAS No: 104802-52-0 Catalog No: AG003UXN MDL No:MFCD12965035
Product Description
Catalog Number:
AG003UXN
Chemical Name:
trans-Ethyl 4-(hydroxymethyl)cyclohexanecarboxylate
CAS Number:
104802-52-0
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
MDL Number:
MFCD12965035
IUPAC Name:
ethyl 4-(hydroxymethyl)cyclohexane-1-carboxylate
InChI:
InChI=1S/C10H18O3/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h8-9,11H,2-7H2,1H3
InChI Key:
ZVWQHGKXYFSVEU-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H]1CC[C@H](CC1)CO
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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