Cas no 61215-76-7 (Benzaldehyde, butylmethyl-)
Benzaldehyde, butylmethyl- structure
Product Name:Benzaldehyde, butylmethyl-
CAS No:61215-76-7
MF:C12H16O
MW:176.254843711853
CID:487948
PubChem ID:71398069
Update Time:2025-04-19
Benzaldehyde, butylmethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, butylmethyl-
- 3-butyl-2-methylbenzaldehyde
- 61215-76-7
- DTXSID70819520
-
- Inchi： 1S/C12H16O/c1-3-4-6-11-7-5-8-12(9-13)10(11)2/h5,7-9H,3-4,6H2,1-2H3
- InChI Key： ALLZTBUPOIAVHC-UHFFFAOYSA-N
- SMILES： O=CC1=CC=CC(=C1C)CCCC
Computed Properties
- Exact Mass: 176.12018
- Monoisotopic Mass: 176.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 153
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Benzaldehyde, butylmethyl- Related Literature
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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