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101853-43-4 | Benzoic acid, 2-hydroxy-, cyclohexylmethyl ester
CAS No: 101853-43-4 Catalog No: AG0005QD MDL No:
Product Description
Catalog Number:
AG0005QD
Chemical Name:
Benzoic acid, 2-hydroxy-, cyclohexylmethyl ester
CAS Number:
101853-43-4
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
cyclohexylmethyl 2-hydroxybenzoate
InChI:
InChI=1S/C14H18O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2
InChI Key:
WDBGVOWQHSUFLG-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1O)OCC1CCCCC1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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