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25173-36-8 | Propanoic acid, 3-(3-methylphenoxy)-
CAS No: 25173-36-8 Catalog No: AG002QQU MDL No:MFCD00642411
Product Description
Catalog Number:
AG002QQU
Chemical Name:
Propanoic acid, 3-(3-methylphenoxy)-
CAS Number:
25173-36-8
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00642411
IUPAC Name:
3-(3-methylphenoxy)propanoic acid
InChI:
InChI=1S/C10H12O3/c1-8-3-2-4-9(7-8)13-6-5-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChI Key:
CMDDTCGPFWGGTB-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1cccc(c1)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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