2,2-Dimethyl-3-butenoic Acid - CAS 10276-09-2
Catalog: |
BB067152 |
Product Name: |
2,2-Dimethyl-3-butenoic Acid |
CAS: |
10276-09-2 |
Synonyms: |
2,2-Dimethyl-3-butenoic Acid |
IUPAC Name: | 2,2-dimethylbut-3-enoic acid |
Description: | 2,2-Dimethyl-3-butenoic Acid is an constituent in the synthesis of metabolites of Simvastatin (S485000), a synthetic derivative of a fermentation product of Aspergillus terreus. |
Molecular Weight: | 114.14 |
Molecular Formula: | C6H10O2 |
Canonical SMILES: | CC(C)(C=C)C(=O)O |
InChI: | InChI=1S/C6H10O2/c1-4-6(2,3)5(7)8/h4H,1H2,2-3H3,(H,7,8) |
InChI Key: | SCFWAOWWAANBPY-UHFFFAOYSA-N |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
-
Catalog: BB054808
2-(4-Aminooxan-3-yl)acetic Acid
Detail
-
Catalog: BB016437
2-amino-3-{pyrrolo[2,1-f][1,2,4]triazin-5-yl}propanenitrile
Detail
-
Catalog: BB012200
8-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-chromen-4-one
Detail
-
Catalog: BB016397
1-methyl-3-(1,3-thiazol-2-yl)-1H-pyrazole-5-carbaldehyde
Detail
-
Catalog: BB077194
(S)-(-)-1,2-epoxydecane
Detail
-
Catalog: BB000560
6(5H)-Phenanthridinone
Detail
-
Catalog: BB016398
4-chloro-6-methylimidazo[2,1-f][1,2,4]triazine
Detail
-
Catalog: BB006975
(3R)-N-methyloxolan-3-amine hydrochloride
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS