AG00IMMV

273920-24-4 | Methyl 3-amino-3-(4-nitrophenyl)propanoate

AG00IMMV

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CAS Number	273920-24-4
Catalog Number	AG00IMMV(AGN-PC-0WD2MI)
Chemical Name	Methyl 3-amino-3-(4-nitrophenyl)propanoate
IUPAC Name	methyl 3-amino-3-(4-nitrophenyl)propanoate
InChI	InChI=1S/C10H12N2O4/c1-16-10(13)6-9(11)7-2-4-8(5-3-7)12(14)15/h2-5,9H,6,11H2,1H3
InChI Key	JGLLZWBBGQKLKV-UHFFFAOYSA-N
MDL Number	MFCD18907619
Molecular Formula	C10H12N2O4
Molecular Weight	224.2133
SMILES	O=C(OC)CC(N)C1=CC=C([N+]([O-])=O)C=C1
Synonyms	Methyl 3-amino-3-(4-nitrophenyl)propanoate, 273920-24-4, 933471-45-5, METHYL (3S)-3-AMINO-3-(4-NITROPHENYL)PROPANOATE, SCHEMBL4833185, DTXSID90624491, KS-00000RL5, MFCD18907619, DS-4832, AK134793, AX8256560, Methyl3-amino-3-(4-nitrophenyl)propanoate, Benzenepropanoic acid, ss-amino-4-nitro-, methyl ester, (ssS)-,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.08g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.216g/mol
Monoisotopic Mass	224.08g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	98.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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