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21120-65-0 | Benzoic acid, 4-(4-methylphenoxy)-
CAS No: 21120-65-0 Catalog No: AG002L7Q MDL No:MFCD01631893
Product Description
Catalog Number:
AG002L7Q
Chemical Name:
Benzoic acid, 4-(4-methylphenoxy)-
CAS Number:
21120-65-0
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
MDL Number:
MFCD01631893
IUPAC Name:
4-(4-methylphenoxy)benzoic acid
InChI:
InChI=1S/C14H12O3/c1-10-2-6-12(7-3-10)17-13-8-4-11(5-9-13)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
DCDYPMNXCDXNJZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O
NSC Number:
157595
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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