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137207-08-0

137207-08-0 | 4-Pentenoic acid, 2-ethyl-2-hydroxy-, (R)- (9CI)

CAS No: 137207-08-0 Catalog No: AG0012XH MDL No:

Product Description

Catalog Number:
AG0012XH
Chemical Name:
4-Pentenoic acid, 2-ethyl-2-hydroxy-, (R)- (9CI)
CAS Number:
137207-08-0
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
2-ethyl-2-hydroxypent-4-enoic acid
InChI:
InChI=1S/C7H12O3/c1-3-5-7(10,4-2)6(8)9/h3,10H,1,4-5H2,2H3,(H,8,9)
InChI Key:
PJXQTEJKCWQBHA-UHFFFAOYSA-N
SMILES:
CC[C@](C(=O)O)(CC=C)O

Properties

Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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