CAS
95328-14-6 Purity
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95328-14-6 Purity
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2-Methoxy-N,6-dimethylbenzamide
CAS
95330-31-7
Catalog Number
ACM95330317
Category
Other Products
Molecular Weight
179.2157
Molecular Formula
C10H13NO2
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Specification
Synonyms
Chicamycin A, (2s,11r,11as)-2,8-dihydroxy-7,11-dimethoxy-1,2,3,10,11,11a-hexahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, BRN 5763463, 95330-31-7, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-2,8-dihydroxy-7,11-dimethoxy-, (2S-(2-alpha,11-alpha,11b-beta))-, AC1L2US8, AC1Q6J87, CTK8E0272, KST-1A9117, AR-1A3360, LS-139261, (6R,6aS,8S)-3,8-dihydroxy-2,6-dimethoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
IUPAC Name
(6R,6aS,8S)-3,8-dihydroxy-2,6-dimethoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Canonical SMILES
COC1C2CC(CN2C(=O)C3=CC(=C(C=C3N1)O)OC)O
InChI Key
FDZKMDGYTVIWIB-LCWDIZFYSA-N
Exact Mass
294.12200
H-Bond Acceptor
6
H-Bond Donor
3
What is the molecular formula of 2-Methoxy-N,6-dimethylbenzamide?
The molecular formula is C10H13NO2.
What is the molecular weight of 2-Methoxy-N,6-dimethylbenzamide?
The molecular weight is 179.22 g/mol.
What is the IUPAC name of 2-Methoxy-N,6-dimethylbenzamide?
The IUPAC name is 2-methoxy-N,6-dimethylbenzamide.
What is the InChI of 2-Methoxy-N,6-dimethylbenzamide?
The InChI is InChI=1S/C10H13NO2/c1-7-5-4-6-8(13-3)9(7)10(12)11-2/h4-6H,1-3H3,(H,11,12).
What is the InChIKey of 2-Methoxy-N,6-dimethylbenzamide?
The InChIKey is YFUNDOYQQGQMIQ-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Methoxy-N,6-dimethylbenzamide?
The canonical SMILES is CC1=C(C(=CC=C1)OC)C(=O)NC.
What is the XLogP3-AA value of 2-Methoxy-N,6-dimethylbenzamide?
The XLogP3-AA value is 1.5.
How many hydrogen bond donors are present in 2-Methoxy-N,6-dimethylbenzamide?
There is 1 hydrogen bond donor.
How many hydrogen bond acceptors are present in 2-Methoxy-N,6-dimethylbenzamide?
There are 2 hydrogen bond acceptors.
How many rotatable bonds are present in 2-Methoxy-N,6-dimethylbenzamide?
There are 2 rotatable bonds.
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