4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID METHYL ESTER

CAS No.
33577-98-9
CCD No.
CCD00082138
Formula
C13 H14 O3
MolWeight
218.251

Basic Information

Product Name: 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID METHYL ESTER
CAS: 33577-98-9
English Synonyms: BENZOIC ACID, 4-(3-HYDROXY-3-METHYL-1-BUTYN-1-YL)-, METHYL ESTER ; METHYL 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOATE ; 4-(3-HYDROXY-3-METHYL-1-BUTYN-1-YL)-BENZOIC ACID METHYL ESTER ; 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID METHYL ESTER ; METHYL 4-(3-HYDROXY-3-METHYLBUT-1-YN-1-YL)BENZOATE
MDL Number.: MFCD00168836
H bond acceptor: 3
H bond donor: 1
Smile: CC(C)(C#Cc1ccc(cc1)C(=O)OC)O
InChi: InChI=1S/C13H14O3/c1-13(2,15)9-8-10-4-6-11(7-5-10)12(14)16-3/h4-7,15H,1-3H3
InChiKey: InChIKey=HPQVSXSPVIQMCE-UHFFFAOYSA-N

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