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101504-83-0

101504-83-0 | 2-Propenoic acid, 2-methyl-, 2,3-dihydroxybutyl ester

CAS No: 101504-83-0 Catalog No: AG0004NP MDL No:

Product Description

Catalog Number:
AG0004NP
Chemical Name:
2-Propenoic acid, 2-methyl-, 2,3-dihydroxybutyl ester
CAS Number:
101504-83-0
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
2,3-dihydroxybutyl 2-methylprop-2-enoate
InChI:
InChI=1S/C8H14O4/c1-5(2)8(11)12-4-7(10)6(3)9/h6-7,9-10H,1,4H2,2-3H3
InChI Key:
AXNALHOLESARRI-UHFFFAOYSA-N
SMILES:
CC(C(COC(=O)C(=C)C)O)O

Properties

Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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