5-(3-METHYLPHENYL)-3-METHYL-5-OXOVALERIC ACID

CAS No.
845781-36-4
CCD No.
CCD00518087
Formula
C13 H16 O3
MolWeight
220.266

Basic Information

Product Name: 5-(3-METHYLPHENYL)-3-METHYL-5-OXOVALERIC ACID
CAS: 845781-36-4
English Synonyms: 3-METHYL-5-(3-METHYLPHENYL)-5-OXOVALERIC ACID ; 3-METHYL-5-OXO-5-M-TOLYL-PENTANOIC ACID ; 5-(3-METHYLPHENYL)-3-METHYL-5-OXOVALERIC ACID
MDL Number.: MFCD06201662
H bond acceptor: 3
H bond donor: 1
Smile: Cc1cccc(c1)C(=O)CC(C)CC(=O)O
InChi: InChI=1S/C13H16O3/c1-9-4-3-5-11(6-9)12(14)7-10(2)8-13(15)16/h3-6,10H,7-8H2,1-2H3,(H,15,16)
InChiKey: InChIKey=PKXDEXNTZYEKAT-UHFFFAOYSA-N

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