CAS Registry Number: 78587-72-1

Name:

Benzeneacetic acid, 3-​amino-​4-​hydroxy-​, methyl ester
(3-​Amino-​4-​hydroxyphenyl)​acetic acid methyl ester; Methyl 2-​(3-​amino-​4-​hydroxyphenyl)​acetate; Methyl 3-​amino-​4-​hydroxybenzeneacetat​e; Methyl 3-​amino-​4-​hydroxyphenylacetate 

Chemical Formula: C9H11NO3
Exact Mass: 181.07
Molecular Weight: 181.19
m/z: 181.07 (100.0%), 182.08 (10.0%), 183.08 (1.1%)
Elemental Analysis: C, 59.66; H, 6.12; N, 7.73; O, 26.49

InChI: InChI=1S/C9H11NO3/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4,11H,5,10H2,1H3
InChIKey: CEPDWEWFQRUWPP-UHFFFAOYSA-N
Canonical SMILES : COC(=O)CC1=CC(=C(C=C1)O)N

Specification

98%

1. (1) Shridhar, D. R.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1981, V20B(4), P311-13 CAPLUS
2. (2) Xiao, Zhu-Ping; Synthetic Communications 2010, V40(5), P661-665 CAPLUS
3. (3) Mathews, Christopher John; WO 2003011861 A1 2003 CAPLUS