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19759-40-1 | Benzenemethanol, α,4-dimethyl-, 1-acetate
CAS No: 19759-40-1 Catalog No: AG002AXE MDL No:
Product Description
Catalog Number:
AG002AXE
Chemical Name:
Benzenemethanol, α,4-dimethyl-, 1-acetate
CAS Number:
19759-40-1
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
1-(4-methylphenyl)ethyl acetate
InChI:
InChI=1S/C11H14O2/c1-8-4-6-11(7-5-8)9(2)13-10(3)12/h4-7,9H,1-3H3
InChI Key:
HOKHCDLSYKTSOU-UHFFFAOYSA-N
SMILES:
CC(=O)OC(c1ccc(cc1)C)C
EC Number:
243-273-3
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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