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22744-12-3 | 2-(4-(Methoxycarbonyl)phenyl)acetic acid
CAS No: 22744-12-3 Catalog No: AG0037I2 MDL No:MFCD19440718
Product Description
Catalog Number:
AG0037I2
Chemical Name:
2-(4-(Methoxycarbonyl)phenyl)acetic acid
CAS Number:
22744-12-3
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD19440718
IUPAC Name:
2-(4-methoxycarbonylphenyl)acetic acid
InChI:
InChI=1S/C10H10O4/c1-14-10(13)8-4-2-7(3-5-8)6-9(11)12/h2-5H,6H2,1H3,(H,11,12)
InChI Key:
TXZVCDJZNRCDKW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)CC(=O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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