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88631-38-3 | Benzenemethanol, 2,4,6-trimethyl-, formate
CAS No: 88631-38-3 Catalog No: AG004A7N MDL No:
Product Description
Catalog Number:
AG004A7N
Chemical Name:
Benzenemethanol, 2,4,6-trimethyl-, formate
CAS Number:
88631-38-3
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
formic acid;(2,4,6-trimethylphenyl)methanol
InChI:
InChI=1S/C10H14O.CH2O2/c1-7-4-8(2)10(6-11)9(3)5-7;2-1-3/h4-5,11H,6H2,1-3H3;1H,(H,2,3)
InChI Key:
GIAOVFRUFUGJIS-UHFFFAOYSA-N
SMILES:
OCc1c(C)cc(cc1C)C.OC=O
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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