Cefaclor Impurity 62

CAT: 1299-RM-C031262-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C031262-03Size:50 mg

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CAS Number

37760-98-8

Synonyms

Methyl (S) -2-amino-2-phenylacetate

Molecular Formula

C9H11NO2

Molecular Weight

165.19

Target Alternative Name

Cefaclor

Product Name Synonym

Methyl (S) -2-amino-2-phenylacetate

Chemical Information

Methyl phenylglycinate, L-

CAS Number	37760-98-8
PubChem CID	1201451
IUPAC Name	methyl (2S)-2-amino-2-phenylacetate
Molecular Formula	C9H11NO2
Molecular Weight	165.19
XLogP	0.9
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	153

SMILES

COC(=O)[C@H](C1=CC=CC=C1)N

InChI

InChI=1S/C9H11NO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,10H2,1H3/t8-/m0/s1

InChIKey

BHFLUDRTVIDDOR-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 37760-98-8

CID: 1201451

Formula: C9H11NO2

MW: 165.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.19
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	165.078978594
Monoisotopic Mass	165.078978594
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	153
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C01643-01	Cefaclor Impurity 8 (Cefaclor dimer)
AR-C06440-01	Cefaclor Impurity 13
AR-C06442-01	Cefaclor Impurity 15
AR-C06441-01	Cefaclor Impurity 14
AR-C06448-01	Cefaclor Impurity 21
AR-C01631-01	Cefaclor impurity E
AR-C06447-01	Cefaclor Impurity 20
AR-C06445-01	Cefaclor Impurity 18
AR-C06449-01	Cefaclor Impurity 22
AR-C06446-01	Cefaclor Impurity 19