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81625-03-8 | 1,3-Dioxolane-2-propanoic acid, methyl ester
CAS No: 81625-03-8 Catalog No: AG0051LJ MDL No:
Product Description
Catalog Number:
AG0051LJ
Chemical Name:
1,3-Dioxolane-2-propanoic acid, methyl ester
CAS Number:
81625-03-8
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
methyl 3-(1,3-dioxolan-2-yl)propanoate
InChI:
InChI=1S/C7H12O4/c1-9-6(8)2-3-7-10-4-5-11-7/h7H,2-5H2,1H3
InChI Key:
RHVXUZUXUAPMDA-UHFFFAOYSA-N
SMILES:
COC(=O)CCC1OCCO1
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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