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102-17-0 | Benzeneacetic acid, (4-methoxyphenyl)methyl ester
CAS No: 102-17-0 Catalog No: AG00067Z MDL No:
Product Description
Catalog Number:
AG00067Z
Chemical Name:
Benzeneacetic acid, (4-methoxyphenyl)methyl ester
CAS Number:
102-17-0
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
(4-methoxyphenyl)methyl 2-phenylacetate
InChI:
InChI=1S/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChI Key:
VCYWCSZLXMMLLE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COC(=O)Cc1ccccc1
EC Number:
203-010-5
UNII:
7475820557
FEMA Number:
3740
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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