sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2H-1-Benzopyran, 7-methoxy-2,2-dimethyl-

2H-1-Benzopyran, 7-methoxy-2,2-dimethyl-

CAS No.:
17598-02-6
Catalog Number:
AG0021BL
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0021BL
Chemical Name:
2H-1-Benzopyran, 7-methoxy-2,2-dimethyl-
CAS Number:
17598-02-6
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD00006818
IUPAC Name:
7-methoxy-2,2-dimethylchromene
InChI:
InChI=1S/C12H14O2/c1-12(2)7-6-9-4-5-10(13-3)8-11(9)14-12/h4-8H,1-3H3
InChI Key:
CPTJXGLQLVPIGP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)OC(C=C2)(C)C
EC Number:
241-566-0
UNII:
25HLF91DGR
NSC Number:
318791
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Effects of CYP inhibitors on precocene I metabolism and toxicity in rat liver slices. Chemico-biological interactions 20110905
Volatile oils from the plant and hairy root cultures of Ageratum conyzoides L. Natural product research 20110501
Isolation and identification of precocenes and piperitone from essential oils as specific inhibitors of trichothecene production by Fusarium graminearum. Journal of agricultural and food chemistry 20090211
New synthetic precocenoids as potential insect control agents. Journal of environmental biology 20081101
Photochromic agents as tools for protein structure study: lapachenole is a photoaffinity ligand of cytochrome P450 3A4. Biochemistry 20050215
Synthesis of new heterocycles through a cation-driven tandem ring-enlargement-annulation reaction. Organic letters 20020725
Analysis of precocenes in the essential oil of Ageratum spp. by reverse-phase high-performance liquid chromatography. Phytochemical analysis : PCA 20010101
Structure-activity studies of the hepatocarcinogenicities of alkenylbenzene derivatives related to estragole and safrole on administration to preweanling male C57BL/6J x C3H/HeJ F1 mice. Cancer research 19870501
Properties