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1000296-74-1 | Propanoic acid, 2-ethoxy-2-methyl-, chloromethyl ester
CAS No: 1000296-74-1 Catalog No: AG0000BN MDL No:MFCD18072699
Product Description
Catalog Number:
AG0000BN
Chemical Name:
Propanoic acid, 2-ethoxy-2-methyl-, chloromethyl ester
CAS Number:
1000296-74-1
Molecular Formula:
C7H13ClO3
Molecular Weight:
180.6293
MDL Number:
MFCD18072699
IUPAC Name:
chloromethyl 2-ethoxy-2-methylpropanoate
InChI:
InChI=1S/C7H13ClO3/c1-4-11-7(2,3)6(9)10-5-8/h4-5H2,1-3H3
InChI Key:
KODYUJRYYSLSBT-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)OCCl)(C)C
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.055g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.628g/mol
Monoisotopic Mass:
180.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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