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101267-52-1 | Phenol, 3-methyl-4-(1-methylethyl)-, 1-propanoate
CAS No: 101267-52-1 Catalog No: AG00043W MDL No:
Product Description
Catalog Number:
AG00043W
Chemical Name:
Phenol, 3-methyl-4-(1-methylethyl)-, 1-propanoate
CAS Number:
101267-52-1
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
3-methyl-4-propan-2-ylphenol;propanoic acid
InChI:
InChI=1S/C10H14O.C3H6O2/c1-7(2)10-5-4-9(11)6-8(10)3;1-2-3(4)5/h4-7,11H,1-3H3;2H2,1H3,(H,4,5)
InChI Key:
RTYJKILAKQWEEQ-UHFFFAOYSA-N
SMILES:
CCC(=O)Oc1ccc(c(c1)C)C(C)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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