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1796-66-3 | Carbonic acid, methyl 2-phenylethyl ester
CAS No: 1796-66-3 Catalog No: AG00274N MDL No:
Product Description
Catalog Number:
AG00274N
Chemical Name:
Carbonic acid, methyl 2-phenylethyl ester
CAS Number:
1796-66-3
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
methyl 2-phenylethyl carbonate
InChI:
InChI=1S/C10H12O3/c1-12-10(11)13-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key:
YXQBHCNZZMLGKW-UHFFFAOYSA-N
SMILES:
COC(=O)OCCc1ccccc1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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